data_2gjh_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 2gjh _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 ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 52.7 t -112.06 124.8 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.11 130.51 44.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.2 mt -125.03 125.5 69.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.58 124.28 51.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.7 pt -110.87 135.44 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.45 102.43 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.66 168.81 9.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -68.98 -54.79 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 t -117.45 161.75 19.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -57.89 -41.35 82.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -35.7 73.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -52.17 48.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.34 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.93 -39.69 78.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -59.7 -32.15 70.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -81.45 -39.03 25.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.13 76.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.5 -44.18 68.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.3 mt -68.31 -49.35 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.27 -39.04 63.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.2 mt -61.2 -42.7 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -65.8 -42.24 90.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.37 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -66.91 -42.45 85.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.94 90.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -18.85 63.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -89.53 -8.03 53.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.26 7.55 58.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -94.29 35.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.949 0.405 . . . . 0.0 110.984 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.89 161.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 68.75 62.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.07 149.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -125.34 123.51 39.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 p -99.57 135.96 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.8 p -130.71 114.2 15.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.86 0.362 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 m -111.64 130.27 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.3 m -129.67 126.02 37.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -90.78 138.24 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -124.45 121.07 33.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.86 163.36 22.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.33 160.5 34.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.864 0.364 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 76.4 t -116.67 128.49 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -130.36 126.52 37.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 67.9 mt -124.98 125.49 69.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.36 125.65 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 10.4 pt -110.8 135.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.77 95.31 5.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.96 168.77 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.083 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -57.14 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.6 t -119.75 167.71 11.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -40.6 88.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -37.88 75.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -52.0 49.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.36 88.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -39.88 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -60.95 -34.04 74.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -76.79 -42.03 42.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.75 -44.15 77.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.32 -47.7 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.42 -49.1 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.78 -38.62 61.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.7 mt -58.2 -46.6 88.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -64.34 -47.55 78.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 20.2 t -57.11 -40.32 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -71.89 -42.53 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.32 93.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -18.45 64.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 34.4 mt -91.65 -0.92 57.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.16 11.43 67.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -94.81 34.68 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.911 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -50.72 161.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.6 58.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.22 148.84 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -125.92 124.25 40.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.86 135.43 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.912 0.387 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 22.9 m -128.27 125.31 38.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -91.25 138.74 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -125.44 119.86 29.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.98 157.99 21.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.423 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.6 pm0 -135.31 141.05 45.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.805 0.336 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.4 t -132.1 126.53 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -130.23 129.79 43.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.6 mt -125.09 125.39 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.2 125.83 54.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.4 pt -110.86 135.42 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.43 94.96 5.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.42 169.09 8.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.05 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -68.89 -56.4 8.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 t -113.3 159.31 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -59.07 -40.91 86.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -57.92 -34.87 70.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -67.04 -52.04 47.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.65 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.98 -39.83 79.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -59.95 -32.55 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -80.46 -38.66 29.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.55 73.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.38 -44.56 72.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 mt -68.37 -49.12 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -52.38 -40.3 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.3 mt -59.73 -43.46 91.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -65.09 -42.15 94.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 t -64.52 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -68.42 -42.5 78.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.84 90.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -18.66 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.1 mt -90.72 -1.76 57.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.95 11.3 67.94 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -94.84 35.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -50.27 161.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 71.02 58.83 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -90.1 149.05 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.91 125.26 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -100.36 136.23 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 p -131.7 114.27 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.844 0.354 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 m -111.64 132.2 60.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.2 m -130.02 125.03 34.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -90.37 138.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -124.61 120.31 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.54 161.96 23.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.432 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -139.72 140.63 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.874 0.369 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 49.9 t -123.73 124.38 69.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.11 130.45 44.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 72.4 mt -125.24 125.89 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.76 124.83 51.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 9.4 pt -110.79 135.26 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.34 94.87 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.7 169.25 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -65.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.9 t -99.36 179.76 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -74.1 -37.34 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -61.02 -33.04 72.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.89 -52.12 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.92 97.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -64.11 -39.66 94.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -59.7 -46.14 89.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -69.81 -38.21 76.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.94 76.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.56 -45.9 63.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 19.0 mt -68.03 -49.19 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.81 -39.42 62.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 11.1 mt -60.46 -42.84 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -66.12 -42.1 89.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.02 -40.16 88.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -69.92 -42.34 73.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.63 92.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -18.47 63.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.92 3.67 54.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.88 4.62 78.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -94.6 30.73 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -50.65 161.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t70 70.09 56.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.29 149.17 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -123.82 126.17 45.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -95.37 134.59 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 72.6 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.9 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.883 0.373 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 10.9 m -128.88 125.23 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -88.52 137.2 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.77 126.21 41.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.78 170.93 19.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -137.27 141.45 41.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.343 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.36 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.2 t -130.82 121.85 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -130.11 124.75 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.2 mt -121.83 125.14 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.02 129.63 56.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.6 pt -113.63 135.31 53.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.77 94.8 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.62 169.08 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -32.32 57.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -132.42 157.8 43.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -65.06 -32.23 73.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -43.15 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.05 -42.41 84.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.57 96.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -39.94 79.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -63.84 -34.34 77.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -74.3 -45.79 45.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -45.12 77.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.24 -46.87 62.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.4 mt -67.49 -49.22 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.66 -39.5 65.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.1 mt -60.8 -42.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -66.06 -42.1 89.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.7 t -64.69 -40.35 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -69.52 -42.42 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.61 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.02 -18.51 64.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.1 mt -91.21 -2.27 57.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.7 13.11 65.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -93.9 34.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 110.93 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -50.13 161.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t0 70.23 57.8 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -89.05 149.0 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -123.49 122.98 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -104.26 136.97 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.3 p -132.89 128.88 37.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.864 0.364 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 p -99.56 134.1 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.1 m -132.47 128.0 36.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -93.26 138.0 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -127.48 126.04 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.94 167.31 21.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -138.7 141.01 38.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.828 0.347 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.66 127.09 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -130.33 122.74 28.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 62.7 mt -119.03 125.28 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.21 124.37 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 9.7 pt -110.83 135.59 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.08 105.33 15.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.48 168.97 9.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -83.99 -39.96 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 t -130.77 159.2 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -56.29 -39.13 72.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -38.1 87.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.1 -52.07 46.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.56 93.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -39.8 79.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -59.9 -40.13 87.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -71.44 -42.85 67.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.69 -44.19 77.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.5 -42.36 67.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 21.1 mt -69.31 -49.33 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -39.0 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.5 mt -61.93 -42.58 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -65.88 -42.06 90.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.4 t -64.49 -41.15 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -68.01 -41.93 81.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.4 94.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.94 -18.8 64.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 27.4 mt -91.63 -2.55 57.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.62 14.18 63.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -93.84 34.9 1.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.92 0.39 . . . . 0.0 110.97 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' B' ' 33' ' ' ASN . 0.6 OUTLIER -50.13 162.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 71.55 57.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.87 149.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -131.62 127.81 37.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 14.7 p -100.26 136.89 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.917 0.389 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.6 m -128.89 127.91 42.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -91.62 139.51 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -126.82 126.67 43.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.79 165.06 21.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -135.59 131.13 35.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.921 0.391 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.8 t -131.2 124.97 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -130.3 127.32 39.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 70.4 mt -123.25 125.4 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.32 127.16 55.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 pt -110.88 135.14 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.27 100.18 8.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.51 169.09 8.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -74.2 -56.33 5.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 t -106.28 160.52 15.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -38.44 87.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -32.8 71.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.11 -38.55 85.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.29 -37.01 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -70.02 -36.73 75.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmpm? -59.35 -34.36 72.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -86.73 -39.38 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.68 -42.46 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.95 -44.63 70.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.1 mt -67.84 -49.11 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.34 -39.58 64.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.2 mt -60.54 -42.8 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -65.7 -42.19 91.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.9 t -64.7 -40.34 88.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -69.2 -42.43 75.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.94 90.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -18.56 63.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.5 mt -90.77 -1.3 57.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.92 11.76 67.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -94.69 35.21 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -50.16 161.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.73 59.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -91.11 149.0 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -124.75 122.71 38.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.4 136.99 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.0 p -136.87 126.73 25.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.952 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.4 m -96.41 136.07 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.9 m -128.41 124.49 36.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -89.59 138.32 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -126.03 117.42 23.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.9 151.41 19.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.49 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.6 pm0 -126.41 146.5 50.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.8 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.816 0.341 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 51.9 t -128.11 125.33 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.29 127.49 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 61.8 mt -124.84 125.39 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.25 126.54 55.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 10.4 pt -110.75 135.33 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.25 96.88 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.97 169.09 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.102 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -74.98 -65.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -101.44 162.87 12.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -61.37 -41.32 96.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -33.88 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -67.04 -52.17 45.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.811 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.3 94.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.85 -39.89 78.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -60.02 -34.44 73.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -76.92 -42.98 37.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.17 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.062 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.43 -46.06 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 14.3 mt -68.85 -49.15 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -52.44 -40.21 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 11.8 mt -59.75 -43.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -65.12 -42.14 94.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 17.0 t -64.68 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -68.93 -42.47 76.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.88 88.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -18.51 64.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.9 mt -90.8 -2.74 57.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.99 12.57 65.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -94.69 35.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -49.8 161.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 t0 70.55 59.28 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -89.95 149.07 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.58 124.48 36.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.8 p -101.24 137.0 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.878 0.37 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.5 m -128.99 125.17 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -90.55 138.23 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -124.96 120.95 33.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.75 153.19 20.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.496 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.6 pm0 -124.74 156.59 37.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.353 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.838 0.351 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.8 t -128.89 123.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -130.11 125.36 34.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -119.58 125.77 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.79 127.09 55.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.4 pt -113.24 135.34 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.04 100.96 8.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.32 159.01 16.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -69.37 -25.22 64.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -139.86 149.84 43.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -56.46 -36.02 68.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.01 82.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.07 -52.21 44.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.43 91.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.08 -39.9 83.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -62.21 -46.07 90.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -64.62 -41.07 96.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.18 76.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.77 -44.06 69.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.8 mt -68.32 -49.14 69.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.53 -40.62 65.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.3 mt -59.75 -42.89 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -65.96 -42.14 90.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.2 t -64.55 -40.69 89.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -65.97 -42.52 89.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.15 -46.11 88.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -18.83 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.3 mt -88.61 -12.01 43.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.32 11.7 51.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -94.07 36.39 1.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.936 0.398 . . . . 0.0 110.939 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.4 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -49.04 161.54 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.893 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t70 70.31 57.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.82 148.97 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -130.3 121.45 26.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.5 p -101.82 136.83 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 p -129.71 123.12 30.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.816 0.341 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.2 m -110.07 133.05 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.2 m -130.4 123.41 29.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -88.81 139.5 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.2 116.49 22.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.07 147.42 17.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.479 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.5 pm0 -127.41 140.75 51.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.2 125.02 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -130.32 128.17 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -125.13 125.65 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.07 135.15 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 26.5 mt -110.58 135.33 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -101.35 73.53 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.73 149.07 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -78.02 -41.24 36.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.44 148.68 37.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.175 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -27.88 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -59.08 -43.3 91.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.01 -52.17 45.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.06 -39.32 81.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.44 -46.07 87.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -60.58 -38.29 84.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -71.35 -45.8 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.99 -43.88 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.54 -47.59 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 6.9 mt -68.08 -47.45 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -51.81 -40.26 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.1 mt -59.35 -43.96 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -65.11 -42.1 94.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 17.0 t -64.84 -40.31 88.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -68.75 -43.11 76.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.48 90.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -18.55 64.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -90.31 -12.1 38.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.27 12.16 49.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -94.37 36.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.383 . . . . 0.0 110.92 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -49.23 161.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 70.53 58.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -87.64 149.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -128.58 120.54 26.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -104.57 137.01 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.851 0.358 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 26.0 m -125.15 123.0 38.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.7 p -98.11 137.21 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -120.68 117.07 26.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.88 143.37 14.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.416 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.9 pm0 -125.55 146.43 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 79.0 t -131.75 127.06 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.31 128.13 40.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.4 mt -125.09 132.09 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.93 132.98 56.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.7 mt -110.19 135.47 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.66 75.95 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.56 148.15 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -77.11 -41.55 41.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.05 147.08 37.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -25.61 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -43.04 98.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.91 -52.21 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.22 90.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.24 -41.31 98.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -67.25 -37.36 83.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -73.58 -41.76 62.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -45.89 78.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.93 -47.13 64.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.1 mt -65.07 -49.17 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.161 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -38.7 63.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mt -61.71 -42.7 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.1 -42.0 89.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.5 t -65.08 -40.74 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -67.97 -41.14 82.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.49 94.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.11 -18.58 63.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.5 mt -92.19 0.52 57.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 8.8 72.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -94.67 33.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -50.06 161.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t70 71.26 61.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -93.74 148.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -137.03 132.17 33.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.02 137.43 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p -135.96 113.84 11.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.1 m95 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.838 0.351 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.18 129.39 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.2 m -125.0 115.91 21.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -89.87 135.22 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -118.11 118.67 32.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.76 142.45 13.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.451 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.9 pm0 -122.88 142.65 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.9 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.68 127.04 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -130.27 124.34 32.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 32.0 mt -124.3 125.78 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.89 137.28 52.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 28.0 mt -110.22 135.48 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.77 74.63 1.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.52 151.68 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.029 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -74.41 -41.5 60.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.89 156.94 23.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -70.12 -26.77 64.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -42.28 99.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.21 -52.08 45.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.33 -42.46 98.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.91 -41.03 81.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -62.86 -34.91 78.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -73.9 -40.95 62.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.53 78.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.5 -47.86 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 5.9 mt -66.56 -48.6 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.89 -40.55 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.32 -44.75 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -64.12 -42.07 96.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 t -65.29 -40.26 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -70.24 -42.34 72.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.59 92.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -18.57 64.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -91.37 -1.66 57.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.63 12.85 66.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.37 35.41 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -49.94 161.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.55 59.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.75 149.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -125.17 123.03 38.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -110.27 137.1 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.948 0.404 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 42.2 m -123.08 137.58 54.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.2 p -114.94 137.06 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -122.32 116.61 24.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.99 143.98 14.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.47 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.8 pm0 -120.29 154.3 35.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.6 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.86 125.25 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -130.39 118.88 21.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.1 mt -115.98 125.75 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.34 126.03 54.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.5 pt -113.01 135.3 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.82 99.49 7.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.19 169.11 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -69.72 -52.04 29.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 t -117.02 159.98 21.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -59.6 -39.92 85.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -34.41 72.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.07 -52.08 46.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.11 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.06 -39.77 79.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -59.98 -33.18 71.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -80.21 -38.07 31.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.59 -44.14 76.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.82 -44.92 63.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.2 mt -68.35 -49.24 68.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.9 -39.35 65.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.7 mt -61.02 -42.61 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -65.97 -42.1 90.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.7 t -64.63 -40.68 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.85 -42.29 81.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.87 90.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -18.81 63.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.56 -0.54 57.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 10.69 69.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -94.66 34.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.898 0.38 . . . . 0.0 110.913 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -50.5 161.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 70.31 57.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.79 149.03 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.78 124.57 35.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -101.7 136.12 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 p -128.96 116.3 19.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.6 p-90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.81 0.338 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.81 132.58 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -129.99 122.02 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -87.82 138.29 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -126.26 120.71 30.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.23 151.65 19.95 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.464 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.8 pm0 -123.58 154.77 38.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 67.6 t -120.9 127.34 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -130.33 124.44 32.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 54.5 mt -125.21 125.72 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 3.0 t -114.06 136.8 52.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mt -110.53 135.26 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.58 74.06 1.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.07 166.43 10.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -80.45 -71.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 t -86.82 -172.48 4.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -86.45 -37.8 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -33.23 68.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -67.75 -49.39 62.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.44 -39.43 81.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -63.01 -36.97 85.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -62.95 -32.03 73.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -83.79 -39.49 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.84 -43.62 77.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.59 -46.86 63.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 7.1 mt -67.78 -48.56 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -51.74 -39.08 57.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 mt -60.83 -43.85 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -64.93 -42.09 94.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 t -65.09 -40.09 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.48 -42.49 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.73 91.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -18.44 64.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -91.46 -1.43 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.72 12.36 66.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -94.25 35.79 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -49.61 160.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 t0 68.52 64.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -92.5 148.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -125.84 120.21 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.8 137.05 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.948 0.404 . . . . 0.0 111.124 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.1 m -121.08 117.68 27.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -92.98 136.16 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -121.79 122.93 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.97 149.05 19.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.82 153.07 35.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.997 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.882 0.372 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.0 t -131.8 124.84 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -130.32 121.47 26.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.0 mt -120.39 125.16 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.76 125.55 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.7 pt -110.91 135.62 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.61 93.25 4.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.04 169.03 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -75.62 -65.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 t -98.99 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -62.02 -40.75 96.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -57.86 -34.14 69.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.98 -52.04 47.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.76 89.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -39.99 79.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -62.01 -38.59 89.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -70.01 -45.0 68.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.26 76.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.33 -46.06 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.0 mt -69.11 -49.15 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.45 -40.64 62.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.7 mt -59.07 -42.82 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -66.05 -42.07 89.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.7 t -64.45 -40.39 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -69.63 -42.5 74.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.5 91.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.94 -18.54 64.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.1 mt -91.21 -2.35 57.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 13.45 64.6 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -94.66 34.98 1.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -49.84 161.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 70.42 56.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.6 149.01 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.89 124.44 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 p -101.46 137.06 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 p -130.83 116.25 17.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.846 0.355 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 p -102.39 132.69 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.4 m -128.61 128.66 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.97 138.6 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -125.69 119.69 28.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.83 152.29 19.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.433 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.8 pm0 -127.31 150.88 49.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.1 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 45.0 t -131.76 125.11 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -130.41 125.62 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.7 mt -120.85 125.38 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.39 125.43 53.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 9.6 pt -111.44 135.45 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.31 114.45 25.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.91 169.02 12.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -75.22 -40.2 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -121.91 158.28 29.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -63.86 -37.0 85.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -57.99 -34.87 70.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -33.77 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.22 -43.64 77.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.07 -36.91 85.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -60.36 -31.93 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -90.82 -39.97 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.76 73.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.51 -44.56 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 16.5 mt -68.24 -49.03 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -40.37 62.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.4 mt -59.75 -43.91 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -64.58 -42.12 95.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 17.5 t -64.81 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -68.92 -42.36 76.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.84 90.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -18.53 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.8 mt -91.02 -0.84 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.83 11.38 68.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -94.73 35.11 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.941 0.4 . . . . 0.0 110.951 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -50.4 161.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 70.61 58.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -89.29 148.88 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.08 124.98 40.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -102.12 136.94 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.916 0.389 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 10.8 m -131.42 126.67 35.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.6 p -91.04 138.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.92 119.94 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.9 151.52 19.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.492 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.6 pm0 -125.86 153.75 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 45.1 tp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.86 0.362 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.38 124.05 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -130.21 121.33 26.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.2 mt -117.05 125.68 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.98 125.06 51.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.9 pt -112.4 135.28 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.48 97.02 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.76 169.06 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -74.03 -34.97 64.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 t -137.98 158.79 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -56.5 -40.45 75.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -38.02 77.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.95 -52.08 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.26 98.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.14 -39.87 79.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -60.49 -32.27 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -80.67 -38.54 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.17 77.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.74 -45.77 63.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.3 mt -67.72 -49.11 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.8 -39.65 65.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mt -60.65 -42.67 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -66.04 -42.12 89.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.5 t -64.55 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.05 -42.17 76.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.75 91.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -18.57 63.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.72 -0.18 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.97 10.19 69.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -94.59 34.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.408 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -50.33 161.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 70.55 57.99 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.16 146.35 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -124.78 125.6 44.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -102.54 134.98 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.7 p -130.07 127.27 39.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.767 0.318 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 p -106.7 132.77 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.5 m -130.65 126.44 36.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.05 138.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -126.07 120.78 31.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.23 151.7 19.52 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.478 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.6 pm0 -126.85 141.45 51.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.883 0.373 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 90.8 t -125.86 129.95 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -130.41 123.21 29.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 55.3 mt -125.14 125.74 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 2.6 t -114.68 137.01 52.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 27.2 mt -110.46 135.37 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.26 73.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.01 164.57 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.1 -68.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.6 t -96.96 164.4 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -64.72 -30.85 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -43.1 89.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -52.14 58.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.23 83.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.87 -39.9 94.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -59.91 -32.09 70.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -83.04 -39.5 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.88 -43.61 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.36 -47.11 62.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 6.6 mt -67.89 -48.3 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -51.72 -39.7 58.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.8 mt -60.18 -44.5 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -64.35 -42.01 96.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 14.0 t -65.2 -40.15 87.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -70.37 -42.43 71.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.7 91.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -18.42 64.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 37.9 mt -91.4 -2.2 57.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.73 13.26 65.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -94.42 35.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.407 . . . . 0.0 110.967 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -49.69 161.47 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 70.54 56.34 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.97 149.03 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -127.48 121.51 30.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 p -101.36 136.73 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.909 0.385 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.0 m -121.2 121.08 37.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.8 p -97.14 136.31 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -119.46 116.74 26.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.84 141.58 12.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -121.19 144.33 48.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.818 0.342 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.6 t -107.91 127.61 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.0 ttt85 -130.14 119.02 22.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.1 mt -117.03 125.4 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.16 119.11 38.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.5 pt -110.1 135.14 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.97 126.76 55.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.82 168.91 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -73.85 -30.86 62.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 t -141.98 153.66 44.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -53.69 -36.55 62.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mmpp? -63.47 -37.89 89.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.926 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.81 -52.08 48.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.2 -36.21 83.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.79 -39.88 78.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -62.62 -31.94 72.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -77.02 -42.28 39.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.51 -42.5 74.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.68 -43.26 72.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.5 mt -68.54 -49.01 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.07 -39.48 63.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.9 mt -61.11 -43.48 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.87 -42.19 95.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.7 t -64.64 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -67.76 -42.19 82.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.91 96.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -18.44 64.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.2 mt -93.39 -0.39 56.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 11.73 67.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -94.31 32.81 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -50.17 161.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 69.86 59.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -89.58 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -125.7 126.59 44.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -103.04 135.81 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -132.09 116.19 16.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.786 0.327 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.9 t -94.6 131.75 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -142.51 136.25 29.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.0 p -115.85 136.75 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -125.99 128.4 47.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.39 160.53 24.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.447 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.7 pm0 -128.72 141.87 51.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.91 126.42 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -130.27 121.07 25.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 72.4 mt -119.89 125.05 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.48 124.89 53.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 9.0 pt -110.82 135.3 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -114.13 100.56 8.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.74 169.05 8.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -78.3 -39.96 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -122.79 158.34 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.5 -38.66 91.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.91 -36.45 72.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.09 -52.07 46.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.8 -40.55 84.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -57.83 -39.87 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -64.59 -33.79 76.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -72.9 -44.19 61.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.76 -44.39 77.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.22 -46.17 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 19.6 mt -68.65 -49.24 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -53.35 -39.6 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.4 mt -60.38 -42.84 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -66.08 -42.17 89.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 t -64.8 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -69.39 -42.11 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.43 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -18.54 64.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 mt -91.97 0.31 57.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.64 9.97 71.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -94.03 33.3 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.905 0.383 . . . . 0.0 110.96 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -50.4 161.35 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 69.11 59.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -89.08 149.2 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.22 128.61 43.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -98.48 137.09 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.3 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.888 0.375 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.8 m -129.48 133.5 47.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -99.18 137.46 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -128.62 129.0 45.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.49 170.86 21.78 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.82 146.69 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.8 t -132.08 129.57 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.46 118.87 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.8 mt -116.55 125.39 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.52 118.6 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.9 pt -110.0 135.12 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.33 129.14 56.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.85 165.1 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -71.9 -37.12 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 t -134.25 156.94 47.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -35.96 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -38.29 90.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.01 -52.11 46.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.44 86.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.87 -39.9 78.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -62.58 -31.97 72.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -76.66 -43.5 37.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.48 -42.57 74.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.04 -42.16 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.8 mt -69.06 -48.93 66.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.62 -39.24 64.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.0 mt -61.57 -43.15 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -65.31 -42.22 93.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 t -64.47 -40.51 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -69.42 -39.52 77.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.33 94.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -18.46 64.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -92.42 -2.68 56.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.78 14.03 63.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -93.77 34.79 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.907 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -49.97 161.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t70 69.28 64.61 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -93.85 144.83 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -122.26 123.87 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.2 p -101.88 135.01 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.3 p -128.89 116.94 20.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.6 t -93.64 132.6 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.7 m -142.4 138.11 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -118.65 139.18 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -126.34 121.69 33.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.84 148.57 19.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.74 150.38 40.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 tm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.965 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 62.6 t -132.16 125.95 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -130.42 119.37 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 72.9 mt -116.23 125.24 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.37 125.44 54.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 pt -112.18 135.44 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.89 93.39 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.88 169.43 8.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -71.97 -63.59 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.9 t -94.8 -172.19 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -88.0 -38.16 15.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -32.8 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.18 -36.58 82.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.07 79.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -70.06 -37.12 75.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -61.83 -33.65 74.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.951 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -82.21 -45.26 15.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.13 78.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.6 -46.96 63.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 22.4 mt -68.96 -49.19 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -52.51 -41.7 63.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 13.3 mt -58.62 -42.91 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -66.18 -42.14 89.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 18.5 t -63.65 -41.27 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -67.75 -42.07 82.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.35 94.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.95 -18.85 64.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 28.1 mt -91.55 -2.42 57.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.77 13.04 65.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -94.62 35.48 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -50.49 161.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 70.58 57.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.17 146.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.152 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -126.78 123.15 36.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 p -100.6 137.06 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 12.8 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.881 0.372 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 11.7 m -130.54 126.41 36.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.79 139.26 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -124.66 119.71 29.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.87 149.61 18.5 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.444 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.6 pm0 -129.26 141.05 51.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.1 t -120.4 128.6 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -130.04 127.57 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.3 mt -123.99 125.7 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.45 119.05 38.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.1 pp -115.43 130.35 70.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.22 147.8 33.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.12 165.84 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -63.52 -49.1 74.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -128.45 174.27 9.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -61.73 -37.42 84.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -39.13 90.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -67.19 -51.12 57.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.68 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -39.98 85.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -60.99 -45.57 94.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -66.54 -46.8 74.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -43.88 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.76 -45.18 78.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.9 mt -64.02 -49.1 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.38 -41.58 69.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.6 mt -59.45 -42.8 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -65.12 -42.25 94.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.6 t -64.79 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -65.55 -42.26 92.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -45.69 91.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -18.89 64.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.0 mt -91.03 -2.11 57.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 12.49 66.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -94.24 34.9 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.906 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -49.41 161.92 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t0 71.9 56.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.71 149.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -130.79 126.92 37.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.5 p -98.6 137.09 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -131.52 113.94 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.79 0.329 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.27 132.56 54.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 m -127.95 132.37 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.5 p -94.62 139.45 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -127.11 124.48 39.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.77 165.71 21.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -135.09 132.74 38.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.828 0.347 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 41.3 t -122.06 123.83 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -130.33 127.64 39.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 84.6 mt -125.03 125.69 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.71 129.87 56.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 12.4 pt -110.78 135.21 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.97 93.79 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.87 169.11 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -83.78 -44.14 14.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -111.41 158.05 19.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -36.46 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -41.16 82.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -62.88 -33.95 76.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.04 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -70.07 -37.19 75.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -63.5 -36.95 85.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -77.59 -44.63 27.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.71 77.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.63 -46.55 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 14.8 mt -66.71 -49.19 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -54.06 -39.14 66.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 11.5 mt -61.41 -42.52 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -65.94 -42.13 90.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 t -64.68 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.04 -42.69 80.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.66 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -18.8 64.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.7 -9.98 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.56 12.11 54.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -94.34 36.01 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.941 0.4 . . . . 0.0 110.922 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -49.59 161.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.45 57.69 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.18 149.1 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.29 123.52 34.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.99 137.05 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.177 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.922 0.391 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 6.4 m -131.75 125.55 32.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -90.42 137.03 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -121.15 120.2 34.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.88 150.79 18.85 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -125.79 144.91 50.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 51.4 t -107.97 123.71 63.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -130.27 122.76 28.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.2 mt -120.14 125.31 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.57 124.88 52.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.6 pt -110.98 135.43 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.85 102.27 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.15 169.01 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -72.3 -41.67 66.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 t -132.5 160.29 36.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -37.34 75.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -41.16 82.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -52.06 46.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.32 89.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -39.87 79.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -60.58 -37.47 81.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -74.23 -39.64 62.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.48 75.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.04 -44.71 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.2 mt -67.91 -49.22 70.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.01 -38.98 62.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.4 mt -61.13 -42.96 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -65.59 -42.15 92.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.9 t -64.9 -40.33 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -69.12 -41.52 77.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.66 92.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -18.6 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 mt -91.67 1.08 57.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 8.57 73.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -94.46 33.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.84 161.09 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t70 68.52 61.55 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -89.82 149.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -122.99 125.11 44.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -100.82 135.54 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -130.51 120.72 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 p -106.22 133.3 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.4 m -131.71 127.64 37.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.67 137.73 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.17 127.97 45.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.73 171.03 19.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.02 147.59 48.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.8 t -107.99 125.19 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -130.33 121.76 26.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 66.1 mt -119.75 125.4 74.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.28 125.67 54.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 10.2 pt -110.92 135.43 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.44 95.63 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.66 168.86 8.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -72.3 -38.45 68.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.1 t -133.97 158.71 42.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -39.61 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -38.49 77.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.0 -51.94 48.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.47 91.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.98 -39.91 79.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -60.63 -32.67 71.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -79.5 -39.12 32.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.55 -42.33 74.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.83 -44.77 70.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 14.7 mt -68.1 -49.25 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -39.36 61.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.2 mt -60.66 -42.66 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -65.91 -42.13 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.8 t -64.13 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -69.95 -42.31 73.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.31 93.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -18.7 64.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 5.9 mt -91.52 -2.06 57.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 13.25 65.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -94.18 35.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.406 ' H ' ' ND2' ' B' ' 33' ' ' ASN . 0.6 OUTLIER -50.13 161.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 t70 71.02 60.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -92.81 148.8 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -128.07 127.61 43.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 p -102.39 136.98 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.9 0.381 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 13.6 m -130.0 125.57 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -90.51 137.6 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.62 127.79 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.92 162.43 23.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -131.37 139.41 49.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.2 t -132.06 122.46 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -130.15 128.15 41.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 mt -122.37 125.53 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.63 125.14 52.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 pt -111.11 135.46 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.09 96.87 5.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.23 164.79 11.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -69.63 -49.19 56.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 t -115.94 153.42 31.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -57.08 -38.6 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -59.11 -37.35 76.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -66.48 -50.66 62.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.62 90.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.96 -39.93 87.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -61.59 -45.15 95.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -64.93 -43.01 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -42.41 74.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.51 -45.91 73.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.0 mt -66.28 -49.27 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -42.37 62.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.2 mt -58.1 -45.21 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -63.58 -39.3 94.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.7 t -68.35 -40.56 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.69 -42.4 86.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.89 88.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -18.79 63.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 mt -88.85 -11.22 45.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.69 10.57 52.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -94.34 36.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.945 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.402 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -49.15 161.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 t70 69.24 60.8 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -90.03 149.12 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -127.41 121.62 31.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -101.4 136.82 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.3 p -131.6 118.14 19.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.1 p -109.91 132.54 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 m -129.31 127.09 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -91.64 139.21 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -124.59 116.84 23.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.02 154.53 20.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.43 161.86 26.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.855 0.359 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 61.4 t -131.98 125.6 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -130.2 125.99 36.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 59.6 mt -125.17 125.96 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.4 135.3 54.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 26.6 mt -110.55 135.34 49.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -101.47 71.52 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.16 158.37 16.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -68.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t -84.82 154.85 22.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -37.63 84.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -36.8 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -62.93 -52.23 63.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.47 88.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -40.11 79.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -60.4 -40.61 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -73.68 -41.66 62.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.85 -44.43 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.31 -47.97 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 5.7 mt -68.23 -47.12 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -51.87 -38.61 56.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.0 mt -61.23 -43.69 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -65.28 -42.13 93.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 14.3 t -64.83 -40.22 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.27 -42.48 79.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.71 91.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.059 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.05 -18.49 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 42.9 mt -91.75 -1.75 57.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.1 70.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -93.89 36.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -49.66 160.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 t70 67.55 69.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -96.22 148.66 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -124.48 118.99 27.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.4 p -104.75 137.04 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 23.5 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.888 0.375 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.9 m -128.44 119.63 25.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -95.48 136.6 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -120.9 125.75 48.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.7 150.38 18.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -121.42 149.57 42.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.8 0.333 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -130.93 124.55 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -130.09 128.58 42.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.0 mt -124.93 125.1 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.25 128.0 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.2 pt -111.13 135.39 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 94.81 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.16 169.04 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -79.62 -35.76 38.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -127.97 158.02 39.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -34.04 77.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -42.01 84.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.07 -48.44 68.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.51 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -39.92 82.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -64.15 -35.21 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -72.12 -45.43 60.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.61 77.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.19 -46.83 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.6 mt -67.71 -49.24 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -52.9 -40.42 63.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.4 mt -59.52 -42.88 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -65.88 -42.14 90.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.5 t -64.74 -40.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -68.55 -42.4 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.94 -45.61 88.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -18.62 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.4 mt -90.92 -3.03 57.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.83 13.35 64.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -94.64 35.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -49.73 161.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 71.04 58.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.85 148.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -126.0 124.16 40.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.5 p -102.81 137.0 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -133.75 124.33 26.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.832 0.349 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 p -101.8 132.72 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.0 m -131.21 130.28 42.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.5 p -94.77 138.72 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -125.88 119.48 27.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.03 166.47 21.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -145.68 141.21 27.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.843 0.354 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 45.7 t -128.59 126.59 65.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -130.38 126.32 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.4 mt -121.62 125.53 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.71 123.66 49.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 pt -110.84 135.44 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.97 106.36 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.97 168.94 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -81.82 -40.2 22.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -124.56 157.97 34.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -55.95 -36.48 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -36.56 84.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -63.43 -35.22 79.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.25 81.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -70.07 -36.68 75.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -59.55 -31.89 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -90.41 -41.14 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.26 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.19 -41.99 69.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 22.5 mt -69.59 -49.13 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.77 -39.27 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.1 mt -61.29 -42.69 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -66.0 -42.03 90.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 16.5 t -64.34 -41.08 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -67.36 -41.07 85.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.5 93.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.22 -18.78 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 29.3 mt -91.3 -1.54 57.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.67 11.72 67.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -94.61 34.4 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.379 . . . . 0.0 110.921 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.404 ' H ' ' ND2' ' B' ' 33' ' ' ASN . 0.6 OUTLIER -50.24 161.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 71.06 57.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.9 145.43 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -125.11 124.83 42.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.63 136.08 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.8 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.843 0.354 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.0 m -129.01 126.95 40.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.3 139.11 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -124.21 121.88 36.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.75 166.86 21.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -146.96 141.18 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.0 t -132.06 125.31 54.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -130.11 124.22 32.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 70.5 mt -121.81 125.39 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.91 126.11 54.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.4 pt -110.85 135.39 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.141 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.41 93.23 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.88 169.04 9.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -70.57 -53.81 14.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 t -108.98 158.62 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -63.92 -40.45 96.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.82 -33.56 68.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.11 -52.06 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.33 89.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -39.93 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -62.7 -32.47 73.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -76.07 -43.9 41.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.22 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.45 -45.35 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.2 mt -69.75 -49.19 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -52.61 -41.15 63.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.1 mt -58.92 -42.9 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -66.04 -42.24 89.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.4 t -64.41 -40.63 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -67.38 -42.39 83.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.54 87.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -18.64 64.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.9 mt -90.89 -3.21 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.85 13.26 64.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -94.35 35.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.933 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -49.42 161.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t0 70.67 58.92 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -89.56 149.03 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -128.35 121.83 30.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.07 136.31 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 p -130.92 114.03 14.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.853 0.359 . . . . 0.0 111.114 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 m -111.5 134.14 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.4 m -129.48 123.8 32.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.59 137.95 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -124.97 117.79 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.35 150.77 19.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.496 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.6 pm0 -125.2 156.24 38.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.368 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.7 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 48.0 t -125.14 125.32 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -130.28 118.88 21.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.6 125.37 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.59 118.23 36.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 14.7 pt -110.32 135.26 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.3 124.98 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.04 169.25 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -72.95 -68.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -105.3 168.4 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -58.83 -39.64 81.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -38.82 81.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.88 -52.2 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.42 99.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.94 -39.62 78.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -59.67 -38.99 82.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -73.66 -45.89 49.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.05 74.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.59 -43.87 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 20.8 mt -68.42 -48.85 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.2 -39.0 63.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.3 mt -61.23 -42.67 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -66.01 -42.17 90.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 17.0 t -64.44 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -67.69 -41.69 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.15 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -18.62 64.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -92.56 -1.77 56.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 12.27 66.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -94.1 35.84 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.379 . . . . 0.0 110.914 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -50.17 160.51 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 9.3 t70 67.7 68.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -95.47 148.29 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -123.74 122.67 38.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -104.26 136.15 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 63.7 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.917 0.389 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m -141.51 126.29 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -105.57 137.68 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -125.13 128.51 48.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.92 170.96 19.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.59 145.96 37.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 0.0 110.975 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.4 t -126.74 124.86 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -130.26 130.53 44.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.7 mt -125.17 125.5 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.51 125.31 53.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.9 pt -110.84 135.38 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.88 102.39 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.24 168.96 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -69.55 -54.46 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.0 t -118.33 165.19 14.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -43.32 94.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -34.59 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -66.51 -52.16 48.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.11 -39.14 93.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -39.87 79.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -59.81 -32.46 70.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -80.83 -39.2 26.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.31 76.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.05 -45.34 68.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.7 mt -67.71 -49.27 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.67 -40.08 62.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mt -60.09 -43.73 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -64.89 -42.16 95.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.4 t -65.09 -40.29 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -68.87 -42.51 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.21 -45.59 92.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -18.52 63.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.7 mt -91.75 2.52 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.85 6.83 75.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -94.8 31.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.441 ' N ' HD21 ' A' ' 33' ' ' ASN . 0.0 OUTLIER -48.73 161.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 t0 68.3 64.11 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -92.07 149.13 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -122.42 124.82 44.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.26 135.29 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 p -130.77 114.11 14.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.822 0.344 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 m -111.44 132.03 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.9 m -129.99 126.77 38.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -91.22 138.5 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -126.65 122.34 34.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.86 168.21 20.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.34 156.55 48.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 88.5 t -130.96 130.42 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 -130.26 122.74 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.1 mt -125.37 125.13 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 2.7 t -114.92 130.7 56.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 8.6 pt -112.12 135.36 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.04 95.07 5.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.18 169.01 8.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -76.6 -57.74 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.5 t -108.52 159.21 16.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -37.72 86.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -38.04 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.06 -52.11 46.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.71 86.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -57.86 -39.94 78.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -62.74 -34.98 78.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -73.07 -44.61 60.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.71 76.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.74 -46.13 63.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 12.6 mt -67.99 -49.09 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.47 -39.65 61.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.8 mt -60.39 -43.14 93.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -65.51 -42.16 92.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 16.5 t -64.76 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -68.4 -42.39 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.63 91.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -18.66 64.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 34.1 mt -90.99 -1.53 57.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.76 12.22 66.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.448 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -94.22 35.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.907 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -49.39 161.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t70 69.3 62.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.4 149.07 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -129.21 122.94 30.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.8 p -99.33 135.92 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.9 0.381 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 4.6 m -122.13 150.94 41.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.0 136.55 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -120.2 116.74 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.95 140.82 12.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -120.3 156.28 31.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t -132.24 123.18 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.3 119.85 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.4 mt -114.59 125.82 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.89 127.87 55.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.8 pt -115.04 135.17 55.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.18 95.22 5.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.42 169.12 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -76.18 -50.75 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -109.39 158.54 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.77 -34.3 77.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -41.53 82.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.93 -34.65 77.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.37 -38.07 81.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -68.38 -37.0 80.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -62.36 -40.66 97.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -73.84 -45.39 51.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.36 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.52 -47.88 63.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.7 mt -67.85 -49.3 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -53.21 -41.49 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.78 -44.27 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -64.32 -42.05 96.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.8 t -65.31 -40.38 88.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -67.7 -42.61 81.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.75 90.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -18.67 64.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.0 mt -90.81 -2.8 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 12.39 65.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -94.83 35.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 110.95 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -50.11 161.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t70 70.86 58.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.51 148.93 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -126.59 123.29 37.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -101.24 135.82 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.1 p -131.25 127.7 38.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.2 m -101.63 133.41 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.6 m -131.12 123.06 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -88.95 138.15 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -125.67 118.94 26.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.03 156.43 21.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.425 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.5 pm0 -135.64 142.65 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t -130.8 129.66 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -130.66 126.17 35.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 55.7 mt -124.41 125.54 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 9.7 t -113.71 135.92 53.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 22.7 mt -110.9 135.0 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.22 74.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.03 144.53 29.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -79.47 -32.43 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.65 144.76 44.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -59.53 -30.91 68.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.941 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -41.66 89.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -42.56 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.05 -37.54 81.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -69.48 -37.08 77.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -68.13 -36.02 79.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -77.52 -41.6 38.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.66 -42.97 75.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.39 -44.79 72.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 11.6 mt -67.26 -49.09 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.19 -39.52 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.2 mt -60.96 -43.96 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.165 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.58 -42.24 95.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 t -65.12 -40.08 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.47 -40.8 73.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.41 94.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -18.43 64.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 33.1 mt -92.54 -2.5 56.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.7 13.82 64.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -93.63 34.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -50.16 161.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 t0 70.87 60.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -91.72 144.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -121.18 123.62 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.06 136.57 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.166 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.9 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.946 0.403 . . . . 0.0 111.086 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -121.0 119.87 33.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.5 p -95.76 137.56 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -120.67 115.16 22.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.0 140.95 12.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.511 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.5 pm0 -120.48 146.6 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 20.0 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.97 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.92 0.39 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.15 128.06 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -130.13 127.71 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -125.46 129.74 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.18 135.72 53.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.6 mt -110.48 135.56 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -102.23 73.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.83 167.5 10.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -67.89 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 t -97.82 164.36 12.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -66.14 -29.19 69.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -43.51 92.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -52.15 55.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.82 84.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.0 -40.53 95.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -59.93 -33.75 72.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -81.42 -39.45 24.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.34 -45.25 80.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.46 -48.31 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.3 mt -66.7 -47.97 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.88 -40.44 60.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 mt -59.48 -44.69 93.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -64.45 -42.13 96.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.3 t -65.32 -39.9 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.22 -42.64 72.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.73 96.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -18.22 64.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mt -94.03 3.05 55.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 7.1 75.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -94.58 27.51 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.05 160.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 t0 68.71 61.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -90.36 149.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -120.14 122.65 41.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -101.46 137.11 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.9 p -135.64 113.69 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.858 0.361 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.1 p -92.71 136.53 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.0 m -129.7 136.35 49.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -112.08 134.82 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -122.59 123.14 40.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.68 165.11 21.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -137.69 147.28 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.853 0.358 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 48.0 t -107.93 122.45 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.12 121.07 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 33.2 mt -117.29 125.65 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.9 125.37 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 pt -112.77 135.4 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.67 96.47 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.178 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.03 169.09 8.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -70.96 -41.86 70.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 t -130.69 160.22 34.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -60.31 -39.68 87.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -57.91 -38.2 75.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.99 -52.14 46.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.1 86.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -39.85 78.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -62.4 -32.25 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -77.96 -40.07 40.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.73 -44.34 77.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.96 63.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 14.4 mt -67.56 -49.21 72.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.37 -39.38 64.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 11.1 mt -60.97 -42.75 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.05 -42.22 89.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.5 t -64.64 -40.94 90.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -68.9 -41.78 77.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.02 96.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.99 -18.55 64.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.3 mt -92.77 2.26 56.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 7.86 74.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -94.6 30.6 1.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . 0.401 ' ND2' ' H ' ' B' ' 33' ' ' ASN . 0.6 OUTLIER -50.76 161.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 69.99 54.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -83.72 149.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -123.49 126.47 46.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -100.52 135.26 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.937 0.399 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -130.79 125.03 32.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -89.47 138.1 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.77 129.51 45.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.89 170.94 19.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -136.64 141.19 43.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.1 t -129.35 124.77 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.4 128.59 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.3 mt -125.21 132.14 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.7 t -115.13 129.75 56.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.5 pt -115.28 135.39 55.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.34 101.07 9.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.58 169.01 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -68.81 -57.2 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 t -116.48 159.19 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -57.49 -37.58 73.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -58.02 -39.79 79.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.05 -52.04 47.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.77 88.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -57.95 -39.84 79.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -61.13 -33.92 74.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -76.56 -42.25 43.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.84 -44.45 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.19 -46.35 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.7 mt -66.61 -49.19 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.99 -39.39 63.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.4 mt -60.78 -43.01 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -66.03 -42.06 90.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 t -64.87 -40.43 89.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -67.9 -40.97 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.99 90.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.067 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -18.61 63.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.0 mt -90.92 -0.19 57.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 7.71 74.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -94.19 35.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.915 0.388 . . . . 0.0 110.936 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -50.95 161.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t0 69.8 63.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -93.5 145.71 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -123.02 123.98 42.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.2 p -94.88 134.14 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.3 p -132.35 132.32 42.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.4 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.796 0.332 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.6 m -88.86 121.68 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.2 m -121.27 127.74 51.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -90.88 135.7 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -117.88 119.5 35.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.24 147.05 17.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.93 162.07 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 56.9 t -126.47 126.38 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -130.29 128.78 42.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 55.9 mt -125.18 125.78 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.87 136.45 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 28.8 mt -110.54 135.43 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.37 73.64 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.58 149.32 23.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -77.12 -40.65 44.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.01 146.12 40.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -29.86 70.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -43.24 86.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -52.17 45.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.64 80.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.87 -40.79 85.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -64.91 -38.5 91.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -70.67 -44.05 67.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.98 -45.41 78.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.078 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.65 -47.96 63.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 6.7 mt -66.76 -48.32 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -51.45 -39.83 58.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.9 mt -60.07 -44.07 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.76 -42.08 95.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.7 t -64.69 -40.4 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -69.28 -42.7 75.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.56 92.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -18.5 64.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 36.3 mt -90.54 -10.44 43.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.14 11.74 53.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -94.27 36.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.908 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -49.39 161.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t0 70.88 59.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -90.79 148.99 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -129.1 122.17 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.66 137.01 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 29.1 m -123.76 136.33 54.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -111.72 137.27 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -120.12 116.06 24.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.66 142.99 14.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.429 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.9 pm0 -125.36 149.62 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.863 0.363 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.67 124.13 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 52.7 t -112.06 124.8 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.11 130.51 44.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.2 mt -125.03 125.5 69.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.58 124.28 51.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.7 pt -110.87 135.44 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.45 102.43 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.66 168.81 9.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -68.98 -54.79 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 5.2 t -117.45 161.75 19.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -57.89 -41.35 82.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -35.7 73.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.6 -52.17 48.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.85 -41.34 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.93 -39.69 78.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -59.7 -32.15 70.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -81.45 -39.03 25.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.13 76.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.5 -44.18 68.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.3 mt -68.31 -49.35 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -53.27 -39.04 63.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.2 mt -61.2 -42.7 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -65.8 -42.24 90.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.2 t -64.37 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -66.91 -42.45 85.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.94 90.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -18.85 63.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 20.4 mt -89.53 -8.03 53.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.26 7.55 58.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -94.29 35.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.949 0.405 . . . . 0.0 110.984 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.89 161.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 68.75 62.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.07 149.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -125.34 123.51 39.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 p -99.57 135.96 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.8 p -130.71 114.2 15.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.5 p-90 -107.78 141.41 39.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -141.82 102.05 4.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.3 -83.9 1.49 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.25 21.09 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.08 131.9 52.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 m -111.64 130.27 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.3 m -129.67 126.02 37.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -90.78 138.24 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -124.45 121.07 33.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.86 163.36 22.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.33 160.5 34.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.59 139.61 53.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -104.83 39.59 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.51 145.87 5.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.74 -87.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 63.3 161.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.838 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -128.15 26.48 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -67.59 -170.04 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -176.86 167.3 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.75 131.87 37.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 76.4 t -116.67 128.49 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 -130.36 126.52 37.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 67.9 mt -124.98 125.49 69.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.36 125.65 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 10.4 pt -110.8 135.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.77 95.31 5.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.96 168.77 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.083 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -57.14 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.6 t -119.75 167.71 11.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -40.6 88.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -37.88 75.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -66.73 -52.0 49.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 -38.36 88.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -39.88 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -60.95 -34.04 74.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -76.79 -42.03 42.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.75 -44.15 77.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.32 -47.7 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.05 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 12.1 mt -66.42 -49.1 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.78 -38.62 61.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.7 mt -58.2 -46.6 88.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -64.34 -47.55 78.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 20.2 t -57.11 -40.32 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -71.89 -42.53 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.32 93.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -18.45 64.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 34.4 mt -91.65 -0.92 57.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.16 11.43 67.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -94.81 34.68 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.911 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -50.72 161.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.6 58.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.22 148.84 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -125.92 124.25 40.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.86 135.43 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 19.6 p -132.35 114.11 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -107.6 142.94 36.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -142.0 100.02 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.79 -83.04 1.3 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.14 18.47 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.22 132.05 51.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 4.4 m -111.9 132.72 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 22.9 m -128.27 125.31 38.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -91.25 138.74 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -125.44 119.86 29.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.98 157.99 21.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.423 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.6 pm0 -135.31 141.05 45.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.16 139.23 41.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.25 36.91 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.47 77.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.06 109.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.524 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.3 m -144.85 157.96 43.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.83 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -109.13 65.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -55.18 147.64 15.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -179.3 132.59 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -92.75 136.9 32.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.4 t -132.1 126.53 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -130.23 129.79 43.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 66.6 mt -125.09 125.39 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.2 125.83 54.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.4 pt -110.86 135.42 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.43 94.96 5.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.42 169.09 8.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.05 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -68.89 -56.4 8.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 t -113.3 159.31 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -59.07 -40.91 86.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -57.92 -34.87 70.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -67.04 -52.04 47.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.82 -41.65 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.98 -39.83 79.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -59.95 -32.55 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -80.46 -38.66 29.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.55 73.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.38 -44.56 72.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.8 mt -68.37 -49.12 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -52.38 -40.3 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.3 mt -59.73 -43.46 91.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -65.09 -42.15 94.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.4 t -64.52 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -68.42 -42.5 78.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.84 90.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -18.66 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.1 mt -90.72 -1.76 57.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.95 11.3 67.94 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -94.84 35.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -50.27 161.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 71.02 58.83 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -90.1 149.05 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.91 125.26 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -100.36 136.23 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 p -131.7 114.27 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -107.04 143.47 35.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.94 99.96 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.23 -84.68 1.42 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -147.06 19.93 1.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.11 132.08 51.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.2 m -111.64 132.2 60.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.2 m -130.02 125.03 34.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -90.37 138.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -124.61 120.31 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.54 161.96 23.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.432 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -139.72 140.63 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.929 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 tp -90.48 148.81 22.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -122.37 -39.69 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.36 -82.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.62 129.88 1.89 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.448 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -156.5 149.06 23.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.19 -58.18 2.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -128.77 147.61 50.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.32 112.22 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.836 0.351 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.85 140.27 29.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 49.9 t -123.73 124.38 69.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.11 130.45 44.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 72.4 mt -125.24 125.89 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.76 124.83 51.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 9.4 pt -110.79 135.26 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.34 94.87 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.7 169.25 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -65.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 10.9 t -99.36 179.76 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -74.1 -37.34 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -61.02 -33.04 72.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -64.89 -52.12 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.92 97.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -64.11 -39.66 94.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -59.7 -46.14 89.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 18.8 m-85 -69.81 -38.21 76.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.94 76.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.56 -45.9 63.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 19.0 mt -68.03 -49.19 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.81 -39.42 62.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 11.1 mt -60.46 -42.84 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -66.12 -42.1 89.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 16.0 t -65.02 -40.16 88.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -69.92 -42.34 73.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.63 92.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -18.47 63.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 mt -91.92 3.67 54.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.88 4.62 78.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 29.3 m-85 -94.6 30.73 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -50.65 161.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t70 70.09 56.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.29 149.17 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -123.82 126.17 45.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -95.37 134.59 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 72.6 p -129.27 113.88 15.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -96.12 126.57 41.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -125.65 99.92 6.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.12 -90.11 1.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.15 12.49 2.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.37 132.06 51.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.9 m -99.44 136.32 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 10.9 m -128.88 125.23 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -88.52 137.2 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.77 126.21 41.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.78 170.93 19.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -137.27 141.45 41.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.343 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.96 138.52 44.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -103.81 35.85 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.44 105.12 2.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.47 156.17 27.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.472 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.13 141.9 15.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.865 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.83 -57.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -169.31 -169.94 1.02 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -175.01 144.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.815 0.34 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -110.24 147.0 34.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.2 t -130.82 121.85 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -130.11 124.75 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 67.2 mt -121.83 125.14 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -114.02 129.63 56.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.6 pt -113.63 135.31 53.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.77 94.8 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.62 169.08 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -32.32 57.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -132.42 157.8 43.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -65.06 -32.23 73.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -43.15 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.05 -42.41 84.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.57 96.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -39.94 79.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -63.84 -34.34 77.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -74.3 -45.79 45.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -45.12 77.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.24 -46.87 62.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.4 mt -67.49 -49.22 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.66 -39.5 65.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.1 mt -60.8 -42.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -66.06 -42.1 89.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.7 t -64.69 -40.35 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -69.52 -42.42 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.61 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.02 -18.51 64.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.1 mt -91.21 -2.27 57.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.7 13.11 65.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -93.9 34.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 110.93 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -50.13 161.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t0 70.23 57.8 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -89.05 149.0 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -123.49 122.98 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -104.26 136.97 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.3 p -132.89 128.88 37.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 -105.85 122.23 45.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -142.07 122.04 13.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.3 46.82 75.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.47 21.3 9.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.05 126.88 44.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.9 p -99.56 134.1 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.1 m -132.47 128.0 36.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -93.26 138.0 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -127.48 126.04 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.94 167.31 21.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -138.7 141.01 38.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.48 121.53 27.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -115.74 -28.42 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.16 -58.64 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.32 -155.3 6.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -153.9 136.18 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.857 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -88.77 75.84 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -87.88 -19.43 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.08 123.5 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.85 146.96 27.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.66 127.09 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -130.33 122.74 28.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 62.7 mt -119.03 125.28 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.21 124.37 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 9.7 pt -110.83 135.59 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.08 105.33 15.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -111.48 168.97 9.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -83.99 -39.96 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.6 t -130.77 159.2 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -56.29 -39.13 72.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -38.1 87.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.1 -52.07 46.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.78 -40.56 93.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -39.8 79.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -59.9 -40.13 87.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -71.44 -42.85 67.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.69 -44.19 77.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.5 -42.36 67.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 21.1 mt -69.31 -49.33 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -39.0 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.5 mt -61.93 -42.58 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -65.88 -42.06 90.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.4 t -64.49 -41.15 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -68.01 -41.93 81.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.4 94.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.94 -18.8 64.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 27.4 mt -91.63 -2.55 57.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.62 14.18 63.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 12.6 m-85 -93.84 34.9 1.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.92 0.39 . . . . 0.0 110.97 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' B' ' 33' ' ' ASN . 0.6 OUTLIER -50.13 162.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 71.55 57.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.87 149.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -131.62 127.81 37.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 14.7 p -100.26 136.89 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.5 p -131.72 114.05 14.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -103.02 143.36 32.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -141.96 100.35 3.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.32 -86.25 1.48 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.54 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.31 18.59 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.18 130.12 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.3 p -105.75 132.07 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.6 m -128.89 127.91 42.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -91.62 139.51 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -126.82 126.67 43.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.79 165.06 21.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -135.59 131.13 35.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -115.75 117.72 31.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -109.88 -26.83 9.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -151.23 162.97 29.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.495 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.93 116.85 1.06 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.3 m -151.14 168.28 25.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.6 -64.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -132.8 147.57 52.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.17 139.45 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -98.52 146.93 25.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.8 t -131.2 124.97 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -130.3 127.32 39.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 70.4 mt -123.25 125.4 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.32 127.16 55.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.3 pt -110.88 135.14 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.27 100.18 8.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.51 169.09 8.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -74.2 -56.33 5.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.7 t -106.28 160.52 15.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -38.44 87.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -32.8 71.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.11 -38.55 85.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.29 -37.01 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -70.02 -36.73 75.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmpm? -59.35 -34.36 72.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -86.73 -39.38 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.68 -42.46 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.95 -44.63 70.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.1 mt -67.84 -49.11 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.34 -39.58 64.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.2 mt -60.54 -42.8 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -65.7 -42.19 91.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.9 t -64.7 -40.34 88.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -69.2 -42.43 75.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.94 90.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -18.56 63.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.5 mt -90.77 -1.3 57.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.92 11.76 67.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -94.69 35.21 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -50.16 161.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.73 59.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -91.11 149.0 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -124.75 122.71 38.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.4 136.99 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.0 p -136.87 126.73 25.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -103.97 125.5 50.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -142.1 108.4 5.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.22 45.83 9.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.45 16.38 9.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.23 123.73 38.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.4 m -96.41 136.07 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.9 m -128.41 124.49 36.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -89.59 138.32 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -126.03 117.42 23.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.9 151.41 19.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.49 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.6 pm0 -126.41 146.5 50.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.8 tp -105.79 144.3 32.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -111.54 -37.82 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.44 -38.27 0.89 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.441 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -134.98 -173.83 13.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -128.07 132.81 49.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.4 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.64 72.31 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -55.01 147.63 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.49 125.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.2 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.88 146.85 30.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 51.9 t -128.11 125.33 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.29 127.49 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 61.8 mt -124.84 125.39 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.25 126.54 55.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 10.4 pt -110.75 135.33 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.25 96.88 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.97 169.09 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.102 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -74.98 -65.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.0 t -101.44 162.87 12.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -61.37 -41.32 96.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -33.88 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -67.04 -52.17 45.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.811 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.3 94.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.85 -39.89 78.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -60.02 -34.44 73.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -76.92 -42.98 37.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.17 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.062 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.43 -46.06 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 14.3 mt -68.85 -49.15 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -52.44 -40.21 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 11.8 mt -59.75 -43.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -65.12 -42.14 94.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 17.0 t -64.68 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -68.93 -42.47 76.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.851 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.88 88.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -18.51 64.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.9 mt -90.8 -2.74 57.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.99 12.57 65.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -94.69 35.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -49.8 161.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 t0 70.55 59.28 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -89.95 149.07 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.58 124.48 36.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.8 p -101.24 137.0 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -131.93 114.11 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 69.2 p-90 -105.46 142.52 35.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -142.05 100.09 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.5 -85.22 1.4 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -146.95 18.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.386 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.17 131.99 51.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 m -111.07 133.24 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.5 m -128.99 125.17 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -90.55 138.23 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -124.96 120.95 33.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.75 153.19 20.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.496 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.6 pm0 -124.74 156.59 37.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.353 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 17.4 tp -110.62 147.53 34.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -33.05 38.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.55 110.44 3.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.36 97.64 0.34 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 7.9 m -148.57 144.82 27.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.92 68.81 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -84.12 -169.94 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.27 146.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.63 147.04 29.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 38.8 t -128.89 123.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -130.11 125.36 34.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.7 mt -119.58 125.77 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.79 127.09 55.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.4 pt -113.24 135.34 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.04 100.96 8.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.32 159.01 16.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.4 ptp180 -69.37 -25.22 64.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -139.86 149.84 43.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -56.46 -36.02 68.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.01 82.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -67.07 -52.21 44.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.84 -41.43 91.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.08 -39.9 83.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -62.21 -46.07 90.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -64.62 -41.07 96.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.18 76.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.77 -44.06 69.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.8 mt -68.32 -49.14 69.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.53 -40.62 65.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.3 mt -59.75 -42.89 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -65.96 -42.14 90.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 18.2 t -64.55 -40.69 89.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -65.97 -42.52 89.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.15 -46.11 88.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -18.83 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.3 mt -88.61 -12.01 43.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.32 11.7 51.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -94.07 36.39 1.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.936 0.398 . . . . 0.0 110.939 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.4 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -49.04 161.54 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.893 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t70 70.31 57.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.82 148.97 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -130.3 121.45 26.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.5 p -101.82 136.83 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 p -129.71 123.12 30.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -109.39 142.55 40.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.79 102.1 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.67 -78.27 2.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -153.95 21.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.14 132.04 51.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.2 m -110.07 133.05 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.2 m -130.4 123.41 29.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.9 p -88.81 139.5 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.2 116.49 22.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.07 147.42 17.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.479 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.5 pm0 -127.41 140.75 51.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.92 139.86 38.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -117.02 -31.95 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.61 113.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.81 -155.04 21.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 m -145.28 107.46 4.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -70.63 86.32 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.14 -31.49 61.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -120.17 9.62 11.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.16 140.32 52.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.3 t -132.2 125.02 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -130.32 128.17 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 54.4 mt -125.13 125.65 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.07 135.15 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 26.5 mt -110.58 135.33 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -101.35 73.53 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.73 149.07 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -78.02 -41.24 36.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.44 148.68 37.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.175 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -27.88 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -59.08 -43.3 91.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.01 -52.17 45.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.06 -39.32 81.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.44 -46.07 87.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -60.58 -38.29 84.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -71.35 -45.8 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.99 -43.88 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.54 -47.59 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 6.9 mt -68.08 -47.45 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -51.81 -40.26 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.1 mt -59.35 -43.96 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -65.11 -42.1 94.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 17.0 t -64.84 -40.31 88.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -68.75 -43.11 76.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.48 90.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -18.55 64.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -90.31 -12.1 38.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.27 12.16 49.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 20.1 m-85 -94.37 36.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.383 . . . . 0.0 110.92 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -49.23 161.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 70.53 58.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -87.64 149.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -128.58 120.54 26.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -104.57 137.01 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -134.74 113.83 12.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -97.39 136.63 37.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -138.8 99.79 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.89 -85.3 1.44 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.1 18.48 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.911 0.386 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.51 121.9 33.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 12.5 p -95.79 130.99 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 26.0 m -125.15 123.0 38.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.7 p -98.11 137.21 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -120.68 117.07 26.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.88 143.37 14.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.416 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.9 pm0 -125.55 146.43 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -107.15 141.07 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.06 34.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.91 143.26 21.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.18 44.36 5.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 6.6 m -160.49 164.44 32.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 110.903 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.58 -46.85 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -119.16 -25.56 6.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -50.89 115.44 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 9.2 p80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -92.7 144.5 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 79.0 t -131.75 127.06 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.31 128.13 40.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 27.4 mt -125.09 132.09 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.93 132.98 56.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 28.7 mt -110.19 135.47 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.66 75.95 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.56 148.15 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -77.11 -41.55 41.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.05 147.08 37.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -25.61 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -43.04 98.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.91 -52.21 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.86 -41.22 90.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.24 -41.31 98.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -67.25 -37.36 83.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -73.58 -41.76 62.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -45.89 78.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.93 -47.13 64.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.1 mt -65.07 -49.17 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.161 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -38.7 63.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mt -61.71 -42.7 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.1 -42.0 89.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 13.5 t -65.08 -40.74 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -67.97 -41.14 82.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.49 94.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.11 -18.58 63.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.5 mt -92.19 0.52 57.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 8.8 72.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -94.67 33.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -50.06 161.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t70 71.26 61.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -93.74 148.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -137.03 132.17 33.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.02 137.43 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p -135.96 113.84 11.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -59.49 134.07 56.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -142.08 99.6 3.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.75 50.68 52.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.36 16.37 9.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.868 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -126.47 121.61 32.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.7 m -73.18 129.39 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.2 m -125.0 115.91 21.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -89.87 135.22 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -118.11 118.67 32.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.76 142.45 13.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.451 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.9 pm0 -122.88 142.65 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.9 tp -93.03 148.42 22.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -114.26 -30.05 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.17 -121.19 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.45 -117.55 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.475 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.4 m -119.65 -48.25 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 50.99 57.71 6.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.97 147.69 52.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.37 149.53 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.6 p80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.842 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.61 147.1 34.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.68 127.04 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -130.27 124.34 32.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 32.0 mt -124.3 125.78 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.89 137.28 52.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 28.0 mt -110.22 135.48 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.77 74.63 1.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.52 151.68 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.029 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -74.41 -41.5 60.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.89 156.94 23.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -70.12 -26.77 64.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -42.28 99.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.21 -52.08 45.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.33 -42.46 98.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.91 -41.03 81.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -62.86 -34.91 78.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -73.9 -40.95 62.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.53 78.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.5 -47.86 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 5.9 mt -66.56 -48.6 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.89 -40.55 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.0 mt -59.32 -44.75 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -64.12 -42.07 96.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 t -65.29 -40.26 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -70.24 -42.34 72.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.59 92.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -18.57 64.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -91.37 -1.66 57.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.63 12.85 66.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.37 35.41 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -49.94 161.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.55 59.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.75 149.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -125.17 123.03 38.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -110.27 137.1 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p -136.36 113.85 10.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -97.17 139.92 32.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -142.08 99.95 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.91 -83.44 1.59 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.48 19.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.27 121.75 33.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.8 p -99.9 130.51 48.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 42.2 m -123.08 137.58 54.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.2 p -114.94 137.06 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -122.32 116.61 24.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.99 143.98 14.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.47 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.8 pm0 -120.29 154.3 35.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.6 tp -109.94 146.07 35.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -118.21 -38.35 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.93 -76.43 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.08 -81.78 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -153.57 139.57 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 0.0 110.835 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.72 -70.25 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -141.7 -176.42 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -176.9 34.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.74 126.22 37.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.86 125.25 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -130.39 118.88 21.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 37.1 mt -115.98 125.75 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.34 126.03 54.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.5 pt -113.01 135.3 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.82 99.49 7.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.19 169.11 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -69.72 -52.04 29.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.3 t -117.02 159.98 21.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -59.6 -39.92 85.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -34.41 72.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -67.07 -52.08 46.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -43.11 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.06 -39.77 79.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -59.98 -33.18 71.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -80.21 -38.07 31.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.59 -44.14 76.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.82 -44.92 63.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 18.2 mt -68.35 -49.24 68.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.9 -39.35 65.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.7 mt -61.02 -42.61 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -65.97 -42.1 90.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.7 t -64.63 -40.68 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -67.85 -42.29 81.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.87 90.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -18.81 63.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 22.4 mt -90.56 -0.54 57.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 10.69 69.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -94.66 34.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.898 0.38 . . . . 0.0 110.913 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -50.5 161.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 70.31 57.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -87.79 149.03 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.78 124.57 35.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -101.7 136.12 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 p -128.96 116.3 19.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.6 p-90 -104.72 142.55 34.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -141.17 100.96 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.821 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.04 -79.68 1.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.89 20.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.09 131.91 52.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.81 132.58 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -129.99 122.02 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -87.82 138.29 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -126.26 120.71 30.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.23 151.65 19.95 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.464 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.8 pm0 -123.58 154.77 38.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.3 tp -112.91 151.01 31.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -123.64 -36.81 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.72 176.78 44.16 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.04 -116.6 5.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -155.36 133.47 11.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.13 83.83 3.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -61.64 -169.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -179.25 104.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -108.48 147.09 32.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 67.6 t -120.9 127.34 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -130.33 124.44 32.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 54.5 mt -125.21 125.72 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 3.0 t -114.06 136.8 52.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 27.0 mt -110.53 135.26 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.58 74.06 1.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.07 166.43 10.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -80.45 -71.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.3 t -86.82 -172.48 4.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -86.45 -37.8 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -33.23 68.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -67.75 -49.39 62.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.44 -39.43 81.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -63.01 -36.97 85.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -62.95 -32.03 73.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -83.79 -39.49 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.84 -43.62 77.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.59 -46.86 63.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 7.1 mt -67.78 -48.56 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -51.74 -39.08 57.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 mt -60.83 -43.85 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -64.93 -42.09 94.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 14.4 t -65.09 -40.09 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -70.48 -42.49 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.73 91.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -18.44 64.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -91.46 -1.43 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.72 12.36 66.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -94.25 35.79 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -49.61 160.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 t0 68.52 64.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -92.5 148.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -125.84 120.21 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.8 137.05 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 71.2 p -134.91 113.91 12.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -96.82 126.03 41.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -127.15 99.86 5.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.69 -85.53 1.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.59 18.23 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 5.3 m -126.43 121.7 33.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 p -90.6 126.68 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.1 m -121.08 117.68 27.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -92.98 136.16 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -121.79 122.93 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.97 149.05 19.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.82 153.07 35.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 18.3 tp -110.84 146.7 35.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.87 36.11 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.81 -171.56 21.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.04 -116.32 0.67 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 61.4 m -160.85 -40.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 110.874 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.21 26.45 8.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -172.23 -170.07 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -174.98 44.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.878 0.371 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.95 147.03 32.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.0 t -131.8 124.84 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -130.32 121.47 26.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.0 mt -120.39 125.16 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.76 125.55 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.7 pt -110.91 135.62 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.1 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -111.61 93.25 4.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.04 169.03 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -75.62 -65.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 4.1 t -98.99 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -62.02 -40.75 96.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -57.86 -34.14 69.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.98 -52.04 47.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.76 89.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -39.99 79.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -62.01 -38.59 89.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -70.01 -45.0 68.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.26 76.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.33 -46.06 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.0 mt -69.11 -49.15 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.45 -40.64 62.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.7 mt -59.07 -42.82 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -66.05 -42.07 89.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.7 t -64.45 -40.39 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -69.63 -42.5 74.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.5 91.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.94 -18.54 64.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.1 mt -91.21 -2.35 57.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 13.45 64.6 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -94.66 34.98 1.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -49.84 161.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 70.42 56.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.6 149.01 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.89 124.44 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 p -101.46 137.06 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 p -130.83 116.25 17.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 -101.49 142.41 32.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.91 101.42 3.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.35 -85.27 1.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -147.58 18.81 1.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.369 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.12 126.84 44.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 p -102.39 132.69 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.4 m -128.61 128.66 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.97 138.6 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -125.69 119.69 28.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.83 152.29 19.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.433 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.8 pm0 -127.31 150.88 49.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.1 tp -113.91 149.32 35.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -116.07 -28.14 6.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.49 77.85 0.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.0 -126.89 1.04 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.525 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.29 129.5 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.9 65.71 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -69.86 -19.12 63.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -51.06 145.06 8.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.5 147.07 27.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 45.0 t -131.76 125.11 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -130.41 125.62 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.7 mt -120.85 125.38 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.39 125.43 53.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 9.6 pt -111.44 135.45 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.31 114.45 25.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.91 169.02 12.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -75.22 -40.2 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -121.91 158.28 29.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -63.86 -37.0 85.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -57.99 -34.87 70.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -33.77 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.22 -43.64 77.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.07 -36.91 85.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -60.36 -31.93 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -90.82 -39.97 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.76 73.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.51 -44.56 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 16.5 mt -68.24 -49.03 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -40.37 62.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.4 mt -59.75 -43.91 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -64.58 -42.12 95.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 17.5 t -64.81 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -68.92 -42.36 76.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.84 90.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -18.53 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.8 mt -91.02 -0.84 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.83 11.38 68.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -94.73 35.11 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.941 0.4 . . . . 0.0 110.951 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -50.4 161.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 70.61 58.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -89.29 148.88 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.08 124.98 40.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -102.12 136.94 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 17.3 p -131.89 126.12 33.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -104.44 120.71 41.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -142.29 125.64 16.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.45 46.6 89.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.25 21.11 9.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.1 132.08 51.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 m -104.0 132.42 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 10.8 m -131.42 126.67 35.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.6 p -91.04 138.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.92 119.94 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.9 151.52 19.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.492 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.6 pm0 -125.86 153.75 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 45.1 tp -110.19 141.71 42.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -112.72 -31.36 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.62 72.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.87 165.14 33.52 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -154.58 -63.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.832 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 50.75 34.8 10.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -72.28 147.41 46.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.13 143.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -92.91 122.39 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.38 124.05 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -130.21 121.33 26.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.2 mt -117.05 125.68 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.98 125.06 51.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.9 pt -112.4 135.28 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.48 97.02 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.76 169.06 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -74.03 -34.97 64.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 t -137.98 158.79 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -56.5 -40.45 75.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -38.02 77.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -66.95 -52.08 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.37 -42.26 98.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.113 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.14 -39.87 79.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -60.49 -32.27 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -80.67 -38.54 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.17 77.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.74 -45.77 63.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 15.3 mt -67.72 -49.11 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.8 -39.65 65.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mt -60.65 -42.67 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -66.04 -42.12 89.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.5 t -64.55 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -69.05 -42.17 76.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.75 91.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -18.57 63.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.72 -0.18 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.97 10.19 69.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 17.8 m-85 -94.59 34.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.408 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -50.33 161.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 70.55 57.99 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.16 146.35 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -124.78 125.6 44.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -102.54 134.98 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.7 p -130.07 127.27 39.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -111.7 140.49 46.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -136.83 100.52 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.78 -78.51 2.0 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.41 21.24 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.913 0.387 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.08 131.97 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.8 p -106.7 132.77 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.5 m -130.65 126.44 36.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.05 138.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -126.07 120.78 31.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.23 151.7 19.52 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.478 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.6 pm0 -126.85 141.45 51.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 tp -97.16 148.12 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.42 -33.4 4.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.95 -86.12 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.68 132.18 1.69 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -161.83 -40.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.04 26.58 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -79.41 163.3 24.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.29 138.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -92.78 138.21 31.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 90.8 t -125.86 129.95 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -130.41 123.21 29.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 55.3 mt -125.14 125.74 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 2.6 t -114.68 137.01 52.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 27.2 mt -110.46 135.37 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.26 73.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.01 164.57 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.1 -68.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.6 t -96.96 164.4 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -64.72 -30.85 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -43.1 89.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.82 -52.14 58.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.23 83.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.87 -39.9 94.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -59.91 -32.09 70.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -83.04 -39.5 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.88 -43.61 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.36 -47.11 62.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 6.6 mt -67.89 -48.3 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -51.72 -39.7 58.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.8 mt -60.18 -44.5 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -64.35 -42.01 96.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 14.0 t -65.2 -40.15 87.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -70.37 -42.43 71.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.7 91.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -18.42 64.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 37.9 mt -91.4 -2.2 57.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.73 13.26 65.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -94.42 35.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.407 . . . . 0.0 110.967 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -49.69 161.47 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 70.54 56.34 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -85.97 149.03 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -127.48 121.51 30.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 p -101.36 136.73 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 81.4 p -135.18 113.79 11.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -96.29 126.66 41.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -127.61 99.84 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.4 -85.25 1.52 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.7 18.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.2 m -126.4 121.72 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 12.2 p -90.42 127.02 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.0 m -121.2 121.08 37.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.8 p -97.14 136.31 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -119.46 116.74 26.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.84 141.58 12.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.53 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.4 pm0 -121.19 144.33 48.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 20.4 tp -94.29 144.44 25.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.2 33.82 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.75 -52.17 5.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.73 -39.16 97.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m 62.81 101.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.16 85.6 4.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 44.0 -163.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.77 -43.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -92.58 127.44 38.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.6 t -107.91 127.61 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 42.0 ttt85 -130.14 119.02 22.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.1 mt -117.03 125.4 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.16 119.11 38.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.5 pt -110.1 135.14 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.97 126.76 55.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -129.82 168.91 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -73.85 -30.86 62.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.1 t -141.98 153.66 44.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -53.69 -36.55 62.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mmpp? -63.47 -37.89 89.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.926 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -66.81 -52.08 48.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.2 -36.21 83.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.79 -39.88 78.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -62.62 -31.94 72.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -77.02 -42.28 39.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.51 -42.5 74.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.68 -43.26 72.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.5 mt -68.54 -49.01 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.07 -39.48 63.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.9 mt -61.11 -43.48 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.87 -42.19 95.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.7 t -64.64 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -67.76 -42.19 82.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.91 96.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -18.44 64.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.2 mt -93.39 -0.39 56.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 11.73 67.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -94.31 32.81 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -50.17 161.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 69.86 59.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -89.58 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -125.7 126.59 44.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -103.04 135.81 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -132.09 116.19 16.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 -103.14 123.36 46.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -142.09 103.07 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.74 50.57 3.49 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.517 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 52.29 29.67 7.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -122.18 132.13 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.9 t -94.6 131.75 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -142.51 136.25 29.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.0 p -115.85 136.75 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -125.99 128.4 47.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.39 160.53 24.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.7 pm0 -128.72 141.87 51.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -120.27 134.84 55.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -102.96 -45.94 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.95 94.6 2.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.27 73.49 0.74 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -132.85 177.23 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.91 -69.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -158.68 -169.95 2.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.26 159.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -92.57 130.42 38.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.91 126.42 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -130.27 121.07 25.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 72.4 mt -119.89 125.05 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.48 124.89 53.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 9.0 pt -110.82 135.3 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -114.13 100.56 8.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.74 169.05 8.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -78.3 -39.96 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -122.79 158.34 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.5 -38.66 91.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.91 -36.45 72.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -67.09 -52.07 46.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.8 -40.55 84.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -57.83 -39.87 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -64.59 -33.79 76.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -72.9 -44.19 61.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.76 -44.39 77.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.22 -46.17 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 19.6 mt -68.65 -49.24 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -53.35 -39.6 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.4 mt -60.38 -42.84 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -66.08 -42.17 89.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 16.1 t -64.8 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -69.39 -42.11 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.43 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -18.54 64.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 5.1 mt -91.97 0.31 57.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.64 9.97 71.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -94.03 33.3 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.905 0.383 . . . . 0.0 110.96 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -50.4 161.35 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 69.11 59.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -89.08 149.2 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.22 128.61 43.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -98.48 137.09 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 24.4 p -136.85 114.91 11.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -66.36 134.82 53.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.03 121.27 13.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 53.17 46.78 62.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.438 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.63 18.12 10.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.883 0.373 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.19 121.41 32.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.3 p -71.26 130.99 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.8 m -129.48 133.5 47.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -99.18 137.46 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -128.62 129.0 45.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.49 170.86 21.78 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.82 146.69 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -124.77 130.33 52.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -95.34 -47.35 6.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.18 73.36 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.68 -169.48 30.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.502 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -109.81 -60.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 50.86 62.49 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.48 147.67 25.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.26 122.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -105.52 140.04 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.8 t -132.08 129.57 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.46 118.87 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.8 mt -116.55 125.39 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.52 118.6 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 13.9 pt -110.0 135.12 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.33 129.14 56.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -132.85 165.1 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -71.9 -37.12 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.6 t -134.25 156.94 47.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -35.96 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -38.29 90.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -67.01 -52.11 46.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.54 -37.44 86.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.08 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.87 -39.9 78.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -62.58 -31.97 72.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -76.66 -43.5 37.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.48 -42.57 74.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.04 -42.16 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.075 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.8 mt -69.06 -48.93 66.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.62 -39.24 64.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.0 mt -61.57 -43.15 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -65.31 -42.22 93.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 t -64.47 -40.51 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -69.42 -39.52 77.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.33 94.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -18.46 64.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -92.42 -2.68 56.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.78 14.03 63.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -93.77 34.79 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.907 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.405 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -49.97 161.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t70 69.28 64.61 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -93.85 144.83 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -122.26 123.87 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.2 p -101.88 135.01 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.3 p -128.89 116.94 20.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -106.45 122.75 46.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -117.43 105.61 12.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.48 -73.38 2.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.72 26.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.368 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.47 132.14 56.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.6 t -93.64 132.6 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 96.7 m -142.4 138.11 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -118.65 139.18 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -126.34 121.69 33.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.84 148.57 19.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.74 150.38 40.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -137.96 125.47 22.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -121.2 -35.9 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.53 -92.26 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.42 164.18 1.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -156.17 159.39 38.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -107.09 -60.07 1.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -144.66 -169.99 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.25 100.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.836 0.35 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -126.93 137.45 53.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 62.6 t -132.16 125.95 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -130.42 119.37 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 72.9 mt -116.23 125.24 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.37 125.44 54.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 8.2 pt -112.18 135.44 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.89 93.39 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.88 169.43 8.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -71.97 -63.59 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 7.9 t -94.8 -172.19 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -88.0 -38.16 15.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -32.8 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.18 -36.58 82.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.48 -37.07 79.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -70.06 -37.12 75.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -61.83 -33.65 74.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.951 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -82.21 -45.26 15.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.13 78.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.6 -46.96 63.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 22.4 mt -68.96 -49.19 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -52.51 -41.7 63.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 13.3 mt -58.62 -42.91 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -66.18 -42.14 89.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 18.5 t -63.65 -41.27 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -67.75 -42.07 82.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.35 94.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.95 -18.85 64.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 28.1 mt -91.55 -2.42 57.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.77 13.04 65.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -94.62 35.48 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -50.49 161.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 70.58 57.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -86.17 146.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.152 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -126.78 123.15 36.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 p -100.6 137.06 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 12.8 p -131.19 118.27 20.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 70.1 p-90 -104.42 142.21 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -141.93 103.24 4.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.16 -83.44 1.62 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.36 19.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.15 132.1 51.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 p -108.2 133.43 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 11.7 m -130.54 126.41 36.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.79 139.26 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -124.66 119.71 29.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.87 149.61 18.5 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.444 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.6 pm0 -129.26 141.05 51.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.14 139.51 39.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.03 -32.83 4.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.94 -77.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.66 168.29 40.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -159.19 -60.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.83 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 50.83 54.67 10.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -84.94 147.67 26.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.25 158.0 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 34.4 m80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.82 135.66 38.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.1 t -120.4 128.6 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 ttp180 -130.04 127.57 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 75.3 mt -123.99 125.7 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.45 119.05 38.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.1 pp -115.43 130.35 70.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.22 147.8 33.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -146.12 165.84 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -63.52 -49.1 74.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -128.45 174.27 9.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -61.73 -37.42 84.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -39.13 90.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -67.19 -51.12 57.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.85 -39.68 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -39.98 85.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -60.99 -45.57 94.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -66.54 -46.8 74.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -43.88 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.76 -45.18 78.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 19.9 mt -64.02 -49.1 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.106 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.38 -41.58 69.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.6 mt -59.45 -42.8 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -65.12 -42.25 94.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.6 t -64.79 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -65.55 -42.26 92.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -45.69 91.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -18.89 64.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 17.0 mt -91.03 -2.11 57.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 12.49 66.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -94.24 34.9 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.906 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -49.41 161.92 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t0 71.9 56.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.71 149.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -130.79 126.92 37.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.5 p -98.6 137.09 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -131.52 113.94 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -101.33 141.03 34.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -142.06 99.93 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.26 -88.52 1.52 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.77 17.22 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.806 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.18 132.18 51.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.5 p -107.27 132.56 54.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.2 m -127.95 132.37 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.5 p -94.62 139.45 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -127.11 124.48 39.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.77 165.71 21.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -135.09 132.74 38.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.7 117.47 29.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -108.65 -30.32 8.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.52 -57.66 0.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.47 -106.65 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.13 161.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -127.52 63.32 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.35 -75.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 51.94 -170.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -93.08 147.05 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 41.3 t -122.06 123.83 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -130.33 127.64 39.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 84.6 mt -125.03 125.69 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.71 129.87 56.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 12.4 pt -110.78 135.21 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.97 93.79 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.87 169.11 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -83.78 -44.14 14.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -111.41 158.05 19.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -36.46 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -41.16 82.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -62.88 -33.95 76.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.33 -37.04 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -70.07 -37.19 75.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -63.5 -36.95 85.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -77.59 -44.63 27.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.71 77.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.63 -46.55 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 14.8 mt -66.71 -49.19 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.151 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -54.06 -39.14 66.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 11.5 mt -61.41 -42.52 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -65.94 -42.13 90.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.6 t -64.68 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -68.04 -42.69 80.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.66 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -18.8 64.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.7 -9.98 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.56 12.11 54.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -94.34 36.01 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.941 0.4 . . . . 0.0 110.922 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -49.59 161.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.45 57.69 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.18 149.1 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.29 123.52 34.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.99 137.05 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 10.9 p -131.88 113.99 14.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.177 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 67.6 p-90 -108.98 142.3 39.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -141.92 99.97 3.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.95 -84.99 1.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.14 18.72 1.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.368 . . . . 0.0 110.834 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.15 131.27 52.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 4.0 m -112.55 134.91 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 6.4 m -131.75 125.55 32.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -90.42 137.03 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -121.15 120.2 34.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.88 150.79 18.85 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -125.79 144.91 50.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -107.74 139.51 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -100.27 40.47 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.46 -28.75 38.57 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.444 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.59 36.1 0.8 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -121.06 -60.68 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.382 . . . . 0.0 110.819 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 18.7 mt 50.74 38.99 20.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -75.74 147.73 39.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.4 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -92.68 129.74 38.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 51.4 t -107.97 123.71 63.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -130.27 122.76 28.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 64.2 mt -120.14 125.31 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.57 124.88 52.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.6 pt -110.98 135.43 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.85 102.27 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.15 169.01 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -72.3 -41.67 66.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.4 t -132.5 160.29 36.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -37.34 75.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -41.16 82.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -52.06 46.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.55 -41.32 89.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -39.87 79.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -60.58 -37.47 81.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -74.23 -39.64 62.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.48 75.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.04 -44.71 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.2 mt -67.91 -49.22 70.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.01 -38.98 62.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.4 mt -61.13 -42.96 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -65.59 -42.15 92.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.9 t -64.9 -40.33 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -69.12 -41.52 77.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.66 92.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -18.6 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.3 mt -91.67 1.08 57.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 8.57 73.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -94.46 33.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.84 161.09 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t70 68.52 61.55 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -89.82 149.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -122.99 125.11 44.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -100.82 135.54 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -130.51 120.72 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -106.59 142.7 35.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -139.96 100.1 3.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.18 -79.34 1.92 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.13 20.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.14 129.69 49.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 p -106.22 133.3 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.4 m -131.71 127.64 37.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.67 137.73 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.17 127.97 45.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.73 171.03 19.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.02 147.59 48.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.75 137.28 48.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -120.44 -37.48 3.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.62 119.1 8.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.18 67.97 0.74 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.9 m -130.65 105.01 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.51 76.22 8.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.4 154.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -151.48 -54.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -92.8 129.0 38.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.8 t -107.99 125.19 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -130.33 121.76 26.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 66.1 mt -119.75 125.4 74.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.28 125.67 54.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 10.2 pt -110.92 135.43 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.44 95.63 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.66 168.86 8.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 15.4 ptm180 -72.3 -38.45 68.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.1 t -133.97 158.71 42.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -39.61 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -38.49 77.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -67.0 -51.94 48.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.39 -40.47 91.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.98 -39.91 79.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -60.63 -32.67 71.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -79.5 -39.12 32.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.55 -42.33 74.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.83 -44.77 70.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 14.7 mt -68.1 -49.25 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -39.36 61.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.2 mt -60.66 -42.66 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -65.91 -42.13 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.8 t -64.13 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -69.95 -42.31 73.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.31 93.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -18.7 64.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 5.9 mt -91.52 -2.06 57.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 13.25 65.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -94.18 35.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.406 ' H ' ' ND2' ' B' ' 33' ' ' ASN . 0.6 OUTLIER -50.13 161.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 t70 71.02 60.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -92.81 148.8 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -128.07 127.61 43.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 p -102.39 136.98 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 37.3 p -133.21 126.82 32.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -104.88 121.37 43.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -142.22 121.57 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.45 44.9 62.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.03 19.1 9.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.935 0.398 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.12 132.01 51.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.4 m -101.51 132.69 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 13.6 m -130.0 125.57 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -90.51 137.6 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.62 127.79 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.92 162.43 23.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -131.37 139.41 49.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.83 117.89 29.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.1 47.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.38 -39.01 82.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.44 -88.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -152.77 -67.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mp 50.04 65.42 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -85.68 147.46 26.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.33 107.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.41 138.47 34.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.2 t -132.06 122.46 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -130.15 128.15 41.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 22.9 mt -122.37 125.53 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.63 125.14 52.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 8.7 pt -111.11 135.46 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.09 96.87 5.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.23 164.79 11.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -69.63 -49.19 56.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 t -115.94 153.42 31.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -57.08 -38.6 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -59.11 -37.35 76.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -66.48 -50.66 62.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.14 -40.62 90.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.96 -39.93 87.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -61.59 -45.15 95.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -64.93 -43.01 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -42.41 74.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.51 -45.91 73.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.0 mt -66.28 -49.27 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -51.82 -42.37 62.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.2 mt -58.1 -45.21 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -63.58 -39.3 94.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.7 t -68.35 -40.56 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -66.69 -42.4 86.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.89 88.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -18.79 63.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 mt -88.85 -11.22 45.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.69 10.57 52.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -94.34 36.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.945 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.402 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -49.15 161.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 t70 69.24 60.8 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -90.03 149.12 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -127.41 121.62 31.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -101.4 136.82 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.3 p -131.6 118.14 19.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -107.85 142.16 38.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -141.98 103.57 4.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.03 -81.64 1.74 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -151.11 20.44 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.89 0.376 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.08 130.53 51.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.1 p -109.91 132.54 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 m -129.31 127.09 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -91.64 139.21 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -124.59 116.84 23.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.02 154.53 20.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.43 161.86 26.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -124.88 139.31 53.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -118.5 -33.26 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.91 40.49 1.42 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.44 -142.22 4.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.51 -37.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.932 0.396 . . . . 0.0 110.866 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.03 26.34 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 44.01 -163.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -179.75 137.48 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.66 135.32 52.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 61.4 t -131.98 125.6 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -130.2 125.99 36.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 59.6 mt -125.17 125.96 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.4 135.3 54.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 26.6 mt -110.55 135.34 49.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -101.47 71.52 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.16 158.37 16.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -68.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 4.4 t -84.82 154.85 22.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -37.63 84.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -36.8 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -62.93 -52.23 63.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.77 -40.47 88.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -40.11 79.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -60.4 -40.61 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -73.68 -41.66 62.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.85 -44.43 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.31 -47.97 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 5.7 mt -68.23 -47.12 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -51.87 -38.61 56.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.0 mt -61.23 -43.69 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -65.28 -42.13 93.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 14.3 t -64.83 -40.22 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -68.27 -42.48 79.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.71 91.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.059 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.05 -18.49 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 42.9 mt -91.75 -1.75 57.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.1 70.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -93.89 36.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -49.66 160.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 t70 67.55 69.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -96.22 148.66 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -124.48 118.99 27.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.4 p -104.75 137.04 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 23.5 p -132.9 113.78 13.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -98.01 129.81 44.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -131.73 99.89 4.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.02 -86.08 1.5 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.45 17.62 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.372 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.48 121.88 33.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 33.0 m -95.56 134.25 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.9 m -128.44 119.63 25.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -95.48 136.6 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -120.9 125.75 48.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.7 150.38 18.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -121.42 149.57 42.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -127.04 126.33 42.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -111.62 -37.43 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.56 115.27 0.8 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 162.24 133.67 1.51 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.493 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -160.75 124.61 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.01 -54.42 26.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.21 -76.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 50.79 70.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.796 0.331 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -113.03 147.01 38.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.7 t -130.93 124.55 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -130.09 128.58 42.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.0 mt -124.93 125.1 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.25 128.0 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.2 pt -111.13 135.39 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 94.81 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.16 169.04 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -79.62 -35.76 38.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -127.97 158.02 39.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -34.04 77.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -42.01 84.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.07 -48.44 68.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.59 -41.51 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -39.92 82.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -64.15 -35.21 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -72.12 -45.43 60.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.61 77.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.19 -46.83 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.6 mt -67.71 -49.24 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -52.9 -40.42 63.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.4 mt -59.52 -42.88 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -65.88 -42.14 90.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.5 t -64.74 -40.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -68.55 -42.4 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.94 -45.61 88.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -18.62 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.4 mt -90.92 -3.03 57.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.83 13.35 64.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -94.64 35.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -49.73 161.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 71.04 58.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.85 148.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -126.0 124.16 40.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.5 p -102.81 137.0 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -133.75 124.33 26.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -103.91 121.14 42.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -142.13 122.83 14.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.827 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.08 46.54 71.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.66 20.96 9.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.16 127.42 45.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 3.5 p -101.8 132.72 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.0 m -131.21 130.28 42.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.5 p -94.77 138.72 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -125.88 119.48 27.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.03 166.47 21.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -145.68 141.21 27.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.59 140.09 39.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -117.41 -30.64 5.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.48 -67.02 0.23 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.73 158.77 10.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -169.1 169.89 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.878 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -103.58 51.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -45.33 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -96.54 103.88 15.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.799 0.333 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -102.57 147.06 27.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 45.7 t -128.59 126.59 65.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -130.38 126.32 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.4 mt -121.62 125.53 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.71 123.66 49.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 pt -110.84 135.44 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.97 106.36 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -109.97 168.94 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -81.82 -40.2 22.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -124.56 157.97 34.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -55.95 -36.48 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -36.56 84.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -63.43 -35.22 79.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.35 -38.25 81.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -70.07 -36.68 75.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -59.55 -31.89 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -90.41 -41.14 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.26 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.19 -41.99 69.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 22.5 mt -69.59 -49.13 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.77 -39.27 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.1 mt -61.29 -42.69 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -66.0 -42.03 90.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 16.5 t -64.34 -41.08 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -67.36 -41.07 85.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.5 93.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.22 -18.78 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 29.3 mt -91.3 -1.54 57.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.67 11.72 67.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -94.61 34.4 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.379 . . . . 0.0 110.921 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.404 ' H ' ' ND2' ' B' ' 33' ' ' ASN . 0.6 OUTLIER -50.24 161.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 71.06 57.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.9 145.43 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -125.11 124.83 42.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.63 136.08 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.8 p -130.51 114.9 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 59.7 p-90 -110.57 142.48 42.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -141.93 100.16 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.819 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.83 -86.7 1.4 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.18 21.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -126.09 131.99 52.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.194 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 3.8 m -113.38 128.74 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.0 m -129.01 126.95 40.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.3 139.11 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -124.21 121.88 36.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.75 166.86 21.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -146.96 141.18 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.09 139.44 42.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.2 -32.03 6.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.33 83.54 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.31 -148.17 4.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 6.7 m 63.14 101.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.52 86.75 5.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.55 147.77 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.45 107.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -110.93 139.57 46.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.0 t -132.06 125.31 54.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -130.11 124.22 32.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 70.5 mt -121.81 125.39 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.91 126.11 54.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.4 pt -110.85 135.39 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.141 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.41 93.23 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.88 169.04 9.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -70.57 -53.81 14.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.9 t -108.98 158.62 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -63.92 -40.45 96.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.82 -33.56 68.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -67.11 -52.06 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.1 -40.33 89.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -39.93 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -62.7 -32.47 73.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -76.07 -43.9 41.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.22 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.45 -45.35 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 22.2 mt -69.75 -49.19 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -52.61 -41.15 63.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 12.1 mt -58.92 -42.9 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -66.04 -42.24 89.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 19.4 t -64.41 -40.63 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -67.38 -42.39 83.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.54 87.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -18.64 64.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.9 mt -90.89 -3.21 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.85 13.26 64.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -94.35 35.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.933 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -49.42 161.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t0 70.67 58.92 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -89.56 149.03 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -128.35 121.83 30.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.07 136.31 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 p -130.92 114.03 14.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 61.0 p-90 -104.27 142.48 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -141.87 99.98 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.47 -82.49 1.43 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -149.8 19.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.12 132.08 51.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.5 m -111.5 134.14 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.4 m -129.48 123.8 32.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.59 137.95 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -124.97 117.79 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.35 150.77 19.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.496 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.6 pm0 -125.2 156.24 38.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.368 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.7 tp -116.11 141.27 48.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -119.77 -32.67 4.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.43 118.53 3.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.95 -157.52 14.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 m -151.02 132.5 14.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -98.12 76.1 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -46.24 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.81 -77.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -111.35 147.14 35.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 48.0 t -125.14 125.32 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -130.28 118.88 21.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 61.1 mt -117.6 125.37 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.59 118.23 36.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 14.7 pt -110.32 135.26 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.3 124.98 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -133.04 169.25 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -72.95 -68.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -105.3 168.4 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -58.83 -39.64 81.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -38.82 81.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -65.88 -52.2 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.42 99.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.94 -39.62 78.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -59.67 -38.99 82.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -73.66 -45.89 49.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.05 74.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.59 -43.87 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 20.8 mt -68.42 -48.85 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.2 -39.0 63.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.3 mt -61.23 -42.67 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -66.01 -42.17 90.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 17.0 t -64.44 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -67.69 -41.69 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.15 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -18.62 64.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -92.56 -1.77 56.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 12.27 66.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -94.1 35.84 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.379 . . . . 0.0 110.914 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -50.17 160.51 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 9.3 t70 67.7 68.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -95.47 148.29 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -123.74 122.67 38.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -104.26 136.15 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 62.0 p -134.15 120.61 20.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 -104.44 125.21 50.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -142.05 100.03 3.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.01 44.23 4.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.5 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 58.7 24.14 11.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -117.13 131.98 56.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 63.7 t -93.6 131.26 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m -141.51 126.29 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -105.57 137.68 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -125.13 128.51 48.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.92 170.96 19.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.59 145.96 37.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 0.0 110.975 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.26 127.66 32.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.53 -34.04 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -144.66 144.29 13.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.509 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.06 -91.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.89 117.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.836 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.65 -45.32 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -173.98 -169.99 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -179.25 131.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 51.0 t60 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -100.96 147.06 26.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 41.4 t -126.74 124.86 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -130.26 130.53 44.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 68.7 mt -125.17 125.5 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.51 125.31 53.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.9 pt -110.84 135.38 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.88 102.39 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -112.24 168.96 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -69.55 -54.46 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.0 t -118.33 165.19 14.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -43.32 94.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -34.59 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -66.51 -52.16 48.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.11 -39.14 93.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -39.87 79.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -59.81 -32.46 70.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -80.83 -39.2 26.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.31 76.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.05 -45.34 68.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.7 mt -67.71 -49.27 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.67 -40.08 62.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.6 mt -60.09 -43.73 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -64.89 -42.16 95.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.4 t -65.09 -40.29 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -68.87 -42.51 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.21 -45.59 92.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -18.52 63.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.7 mt -91.75 2.52 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.85 6.83 75.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -94.8 31.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.441 ' N ' HD21 ' A' ' 33' ' ' ASN . 0.0 OUTLIER -48.73 161.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 t0 68.3 64.11 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -92.07 149.13 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -122.42 124.82 44.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.26 135.29 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 p -130.77 114.11 14.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -108.85 141.3 41.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -141.92 100.25 3.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.87 -82.55 1.2 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.17 19.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.1 132.12 51.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 4.6 m -111.44 132.03 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.9 m -129.99 126.77 38.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -91.22 138.5 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -126.65 122.34 34.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.86 168.21 20.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.34 156.55 48.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.2 tp -121.56 144.89 48.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -115.87 -31.99 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.49 162.91 22.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.53 -20.9 44.73 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.439 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 m -140.34 156.42 46.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.54 -32.2 9.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.53 -176.48 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.24 114.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -98.73 147.13 25.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 88.5 t -130.96 130.42 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 -130.26 122.74 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 68.1 mt -125.37 125.13 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 2.7 t -114.92 130.7 56.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 8.6 pt -112.12 135.36 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.04 95.07 5.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.18 169.01 8.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -76.6 -57.74 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 2.5 t -108.52 159.21 16.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -37.72 86.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -38.04 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.06 -52.11 46.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.99 -39.71 86.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -57.86 -39.94 78.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -62.74 -34.98 78.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -73.07 -44.61 60.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.71 76.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.74 -46.13 63.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 12.6 mt -67.99 -49.09 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.47 -39.65 61.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 10.8 mt -60.39 -43.14 93.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -65.51 -42.16 92.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 16.5 t -64.76 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -68.4 -42.39 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.63 91.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -18.66 64.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 34.1 mt -90.99 -1.53 57.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.76 12.22 66.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.448 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -94.22 35.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.907 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -49.39 161.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t70 69.3 62.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -91.4 149.07 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -129.21 122.94 30.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.8 p -99.33 135.92 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 8.1 p -131.82 132.94 44.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 46.6 p-90 -110.26 123.86 50.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -123.8 100.24 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.04 -82.71 1.61 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.512 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -153.39 21.09 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.7 m -126.17 121.91 34.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 15.5 m -91.26 125.74 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 4.6 m -122.13 150.94 41.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.0 136.55 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -120.2 116.74 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.95 140.82 12.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -120.3 156.28 31.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tp -122.36 119.69 31.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.49 -26.69 17.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -130.11 131.49 6.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.74 68.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -156.73 156.66 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -155.64 32.02 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 64.43 154.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -176.67 -47.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.854 0.359 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -106.4 146.11 30.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 46.3 t -132.24 123.18 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -130.3 119.85 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 28.4 mt -114.59 125.82 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.89 127.87 55.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.8 pt -115.04 135.17 55.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.18 95.22 5.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.42 169.12 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -76.18 -50.75 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 t -109.39 158.54 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.77 -34.3 77.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -41.53 82.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.93 -34.65 77.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.37 -38.07 81.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.123 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -68.38 -37.0 80.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -62.36 -40.66 97.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -73.84 -45.39 51.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.904 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.36 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.52 -47.88 63.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.7 mt -67.85 -49.3 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -53.21 -41.49 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 13.8 mt -58.78 -44.27 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -64.32 -42.05 96.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.8 t -65.31 -40.38 88.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -67.7 -42.61 81.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.75 90.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -18.67 64.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 23.0 mt -90.81 -2.8 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 12.39 65.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -94.83 35.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 110.95 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -50.11 161.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t70 70.86 58.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -88.51 148.93 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -126.59 123.29 37.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -101.24 135.82 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.1 p -131.25 127.7 38.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 -104.91 121.5 43.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -142.19 123.39 14.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.86 46.26 83.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 t0 59.78 20.88 9.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.14 131.91 51.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.2 m -101.63 133.41 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.6 m -131.12 123.06 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -88.95 138.15 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -125.67 118.94 26.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.03 156.43 21.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.425 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.5 pm0 -135.64 142.65 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -106.64 139.56 40.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -117.83 -32.29 4.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.58 -116.71 0.78 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.55 -179.96 40.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.52 140.16 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.901 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -108.66 61.4 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -58.4 147.46 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.33 170.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 26.1 t60 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.864 0.364 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.51 147.08 30.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 39.7 t -130.8 129.66 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -130.66 126.17 35.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 55.7 mt -124.41 125.54 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 9.7 t -113.71 135.92 53.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 22.7 mt -110.9 135.0 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.22 74.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.03 144.53 29.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -79.47 -32.43 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.65 144.76 44.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -59.53 -30.91 68.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.941 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -41.66 89.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -42.56 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.05 -37.54 81.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -69.48 -37.08 77.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -68.13 -36.02 79.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -77.52 -41.6 38.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.66 -42.97 75.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.39 -44.79 72.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 11.6 mt -67.26 -49.09 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.19 -39.52 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 12.2 mt -60.96 -43.96 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.165 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.58 -42.24 95.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 13.8 t -65.12 -40.08 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -70.47 -40.8 73.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.41 94.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -18.43 64.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 33.1 mt -92.54 -2.5 56.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.7 13.82 64.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 11.9 m-85 -93.63 34.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -50.16 161.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 t0 70.87 60.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -91.72 144.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -121.18 123.62 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.06 136.57 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 77.7 p -139.15 114.01 9.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.166 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -95.49 125.18 39.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -142.12 115.45 8.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.17 48.86 36.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.96 20.24 9.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.866 0.365 . . . . 0.0 110.817 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 4.7 m -126.14 121.5 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 11.9 p -89.22 126.82 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -121.0 119.87 33.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.5 p -95.76 137.56 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -120.67 115.16 22.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.0 140.95 12.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.472 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.511 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.5 pm0 -120.48 146.6 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 20.0 tp -96.51 151.0 19.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -106.48 32.22 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -111.44 29.6 8.55 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.25 -57.02 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.52 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.27 136.31 27.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -94.03 75.76 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -72.19 -169.97 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.35 158.54 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 25.8 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -92.75 143.17 26.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.15 128.06 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -130.13 127.71 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 58.8 mt -125.46 129.74 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.18 135.72 53.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 26.6 mt -110.48 135.56 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -102.23 73.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.83 167.5 10.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -67.89 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.7 t -97.82 164.36 12.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -66.14 -29.19 69.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -43.51 92.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -52.15 55.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.19 -38.82 84.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.0 -40.53 95.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -59.93 -33.75 72.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -81.42 -39.45 24.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.34 -45.25 80.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.46 -48.31 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.3 mt -66.7 -47.97 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -51.88 -40.44 60.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.6 mt -59.48 -44.69 93.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -64.45 -42.13 96.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 14.3 t -65.32 -39.9 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -70.22 -42.64 72.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.73 96.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -18.22 64.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.6 mt -94.03 3.05 55.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 7.1 75.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -94.58 27.51 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.05 160.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 t0 68.71 61.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -90.36 149.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -120.14 122.65 41.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -101.46 137.11 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.9 p -135.64 113.69 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -97.02 134.92 39.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -136.11 99.81 4.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.75 -84.42 1.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.75 18.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.73 121.91 33.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 8.1 p -92.71 136.53 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.0 m -129.7 136.35 49.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -112.08 134.82 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -122.59 123.14 40.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.68 165.11 21.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -137.69 147.28 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.14 138.09 51.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -119.78 -34.01 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.27 154.01 6.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.75 -131.24 31.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -163.1 -40.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.378 . . . . 0.0 110.885 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.36 26.25 8.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -58.72 -38.72 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.3 t60 50.2 -168.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.844 0.354 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -92.62 129.44 38.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 48.0 t -107.93 122.45 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.12 121.07 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 33.2 mt -117.29 125.65 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.9 125.37 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 8.1 pt -112.77 135.4 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.67 96.47 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.178 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.03 169.09 8.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 37.0 ptt180 -70.96 -41.86 70.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.4 t -130.69 160.22 34.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -60.31 -39.68 87.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -57.91 -38.2 75.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -66.99 -52.14 46.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -59.58 -40.1 86.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -39.85 78.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -62.4 -32.25 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -77.96 -40.07 40.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.73 -44.34 77.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.96 63.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 14.4 mt -67.56 -49.21 72.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.37 -39.38 64.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 11.1 mt -60.97 -42.75 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.05 -42.22 89.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.5 t -64.64 -40.94 90.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -68.9 -41.78 77.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.02 96.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.99 -18.55 64.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.3 mt -92.77 2.26 56.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 7.86 74.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -94.6 30.6 1.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . 0.401 ' ND2' ' H ' ' B' ' 33' ' ' ASN . 0.6 OUTLIER -50.76 161.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 69.99 54.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -83.72 149.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -123.49 126.47 46.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -100.52 135.26 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.0 p -130.11 117.24 19.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -104.19 144.05 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -141.96 100.4 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.59 -81.82 1.67 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.87 19.81 0.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.09 131.86 52.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 2.9 p -106.13 132.62 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -130.79 125.03 32.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -89.47 138.1 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.77 129.51 45.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.89 170.94 19.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -136.64 141.19 43.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.53 132.21 51.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.16 44.4 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.02 156.1 33.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.543 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.42 44.44 95.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.469 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -153.48 -65.22 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mp 64.46 -80.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.41 -77.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 50.67 40.28 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 130.7 43.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 50.1 t -129.35 124.77 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.4 128.59 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 24.3 mt -125.21 132.14 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.7 t -115.13 129.75 56.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 7.5 pt -115.28 135.39 55.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.34 101.07 9.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.58 169.01 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -68.81 -57.2 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.5 t -116.48 159.19 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -57.49 -37.58 73.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -58.02 -39.79 79.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.05 -52.04 47.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -60.41 -39.77 88.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -57.95 -39.84 79.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -61.13 -33.92 74.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -76.56 -42.25 43.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.84 -44.45 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -52.19 -46.35 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.7 mt -66.61 -49.19 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.99 -39.39 63.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.4 mt -60.78 -43.01 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -66.03 -42.06 90.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 15.0 t -64.87 -40.43 89.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -67.9 -40.97 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.99 90.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.067 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -18.61 63.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.0 mt -90.92 -0.19 57.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 7.71 74.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -94.19 35.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.915 0.388 . . . . 0.0 110.936 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -50.95 161.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t0 69.8 63.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -93.5 145.71 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -123.02 123.98 42.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.2 p -94.88 134.14 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.3 p -132.35 132.32 42.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -107.6 123.36 48.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -142.0 99.93 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.69 41.33 6.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.54 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.74 20.89 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.4 m -126.13 121.68 33.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.6 m -88.86 121.68 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.2 m -121.27 127.74 51.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -90.88 135.7 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -117.88 119.5 35.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.24 147.05 17.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.93 162.07 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -134.08 121.76 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.79 -32.83 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.59 -70.36 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.8 -99.38 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 62.24 166.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -120.7 51.75 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 64.49 154.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -168.03 179.25 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -104.16 147.07 27.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 56.9 t -126.47 126.38 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -130.29 128.78 42.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 55.9 mt -125.18 125.78 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.87 136.45 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ILE . . . . . . . . . . . . . 28.8 mt -110.54 135.43 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.37 73.64 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.58 149.32 23.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -77.12 -40.65 44.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.01 146.12 40.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -29.86 70.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -43.24 86.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -52.17 45.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ALA . . . . . . . . . . . . . . . -58.48 -39.64 80.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.87 -40.79 85.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -64.91 -38.5 91.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -70.67 -44.05 67.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.98 -45.41 78.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.078 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -51.65 -47.96 63.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 6.7 mt -66.76 -48.32 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -51.45 -39.83 58.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ILE . . . . . . . . . . . . . 9.9 mt -60.07 -44.07 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.76 -42.08 95.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 15.7 t -64.69 -40.4 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -69.28 -42.7 75.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.56 92.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -18.5 64.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 36.3 mt -90.54 -10.44 43.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.14 11.74 53.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -94.27 36.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.908 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -49.39 161.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t0 70.88 59.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -90.79 148.99 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -129.1 122.17 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.66 137.01 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -133.86 113.94 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -97.29 139.2 33.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -141.92 99.89 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.71 -86.09 1.51 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.31 17.28 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.19 121.87 34.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' VAL . . . . . . . . . . . . . 33.3 m -100.56 131.79 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 29.1 m -123.76 136.33 54.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -111.72 137.27 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -120.12 116.06 24.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.66 142.99 14.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.429 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.9 pm0 -125.36 149.62 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -111.67 140.52 46.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -120.54 -36.28 3.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.73 171.51 35.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.25 -158.74 14.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 6.0 m -160.05 165.97 30.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 0.0 110.832 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -104.37 -47.75 4.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -128.96 147.67 50.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.16 166.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.737 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 52.7 t -112.06 124.8 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.11 130.51 44.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.646 HG23 HG22 ' B' ' 8' ' ' ILE . 68.2 mt -125.03 125.5 69.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.58 124.28 51.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.679 HG22 HG23 ' B' ' 6' ' ' ILE . 9.7 pt -110.87 135.44 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.45 102.43 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -110.66 168.81 9.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -68.98 -54.79 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 15' ' ' GLU . 5.2 t -117.45 161.75 19.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -57.89 -41.35 82.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -35.7 73.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.545 ' H ' HG23 ' A' ' 12' ' ' THR . 0.9 OUTLIER -66.6 -52.17 48.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.723 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -61.85 -41.34 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.93 -39.69 78.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -59.7 -32.15 70.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -81.45 -39.03 25.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.13 76.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.638 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -53.5 -44.18 68.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.737 HD13 ' CG1' ' B' ' 26' ' ' VAL . 20.3 mt -68.31 -49.35 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.559 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -53.27 -39.04 63.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.2 mt -61.2 -42.7 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -65.8 -42.24 90.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' B' ' 22' ' ' ILE . 17.2 t -64.37 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.559 ' CE2' HD12 ' A' ' 23' ' ' LEU . 6.4 m-85 -66.91 -42.45 85.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.94 90.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -18.85 63.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.485 ' CD1' HG12 ' A' ' 26' ' ' VAL . 20.4 mt -89.53 -8.03 53.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.26 7.55 58.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.497 ' OH ' HD12 ' A' ' 50' ' ' LEU . 25.1 m-85 -94.29 35.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.949 0.405 . . . . 0.0 110.984 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -49.89 161.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 68.75 62.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -91.07 149.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -125.34 123.51 39.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 p -99.57 135.96 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.8 p -130.71 114.2 15.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.458 ' HB3' HG12 ' A' ' 44' ' ' VAL . 66.5 p-90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.86 0.362 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.723 HG21 ' HB1' ' A' ' 16' ' ' ALA . 4.6 m -111.64 130.27 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.3 m -129.67 126.02 37.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -90.78 138.24 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -124.45 121.07 33.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.86 163.36 22.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.33 160.5 34.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.497 HD12 ' OH ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.864 0.364 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 76.4 t -116.67 128.49 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.551 ' NE ' HG21 ' B' ' 45' ' ' THR . 11.1 ttt-85 -130.36 126.52 37.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.679 HG23 HG22 ' A' ' 8' ' ' ILE . 67.9 mt -124.98 125.49 69.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.36 125.65 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.664 HG12 HG23 ' B' ' 44' ' ' VAL . 10.4 pt -110.8 135.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.77 95.31 5.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' B' ' 15' ' ' GLU . . . -104.96 168.77 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.083 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -57.14 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.503 HG23 ' H ' ' B' ' 15' ' ' GLU . 10.6 t -119.75 167.71 11.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -40.6 88.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -37.88 75.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.56 ' HB3' ' HB1' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -66.73 -52.0 49.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.586 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -62.04 -38.36 88.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -39.88 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -60.95 -34.04 74.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.737 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 35.3 m-85 -76.79 -42.03 42.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.75 -44.15 77.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.783 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.32 -47.7 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' A' ' 26' ' ' VAL . 12.1 mt -66.42 -49.1 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.554 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.0 OUTLIER -52.78 -38.62 61.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.7 mt -58.2 -46.6 88.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -64.34 -47.55 78.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.737 ' CG1' HD13 ' A' ' 22' ' ' ILE . 20.2 t -57.11 -40.32 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.554 ' CE2' HD12 ' B' ' 23' ' ' LEU . 5.3 m-85 -71.89 -42.53 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.32 93.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -18.45 64.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 34.4 mt -91.65 -0.92 57.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.16 11.43 67.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.601 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 18.2 m-85 -94.81 34.68 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.911 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -50.72 161.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.6 58.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.461 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -88.22 148.84 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -125.92 124.25 40.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.86 135.43 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.664 HG23 HG12 ' B' ' 8' ' ' ILE . 4.4 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.912 0.387 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' THR . . . . . 0.551 HG21 ' NE ' ' B' ' 5' ' ' ARG . 22.9 m -128.27 125.31 38.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -91.25 138.74 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -125.44 119.86 29.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.98 157.99 21.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.31 141.05 45.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.601 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.805 0.336 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.494 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 61.4 t -132.1 126.53 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -130.23 129.79 43.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.695 HG23 HG22 ' B' ' 8' ' ' ILE . 66.6 mt -125.09 125.39 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.2 125.83 54.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.682 HG12 HG23 ' A' ' 44' ' ' VAL . 10.4 pt -110.86 135.42 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.43 94.96 5.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.42 169.09 8.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.05 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -68.89 -56.4 8.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.451 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.6 t -113.3 159.31 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -59.07 -40.91 86.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -57.92 -34.87 70.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.451 ' H ' HG23 ' A' ' 12' ' ' THR . 14.6 mt-10 -67.04 -52.04 47.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.634 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -60.82 -41.65 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.98 -39.83 79.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -59.95 -32.55 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -80.46 -38.66 29.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.55 73.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -54.38 -44.56 72.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.748 HD13 ' CG1' ' B' ' 26' ' ' VAL . 17.8 mt -68.37 -49.12 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.1 mm? -52.38 -40.3 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.3 mt -59.73 -43.46 91.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -65.09 -42.15 94.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.757 ' CG1' HD13 ' B' ' 22' ' ' ILE . 18.4 t -64.52 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.7 m-85 -68.42 -42.5 78.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.84 90.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -18.66 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.1 mt -90.72 -1.76 57.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.95 11.3 67.94 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.787 ' CE1' HD13 ' A' ' 50' ' ' LEU . 17.0 m-85 -94.84 35.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -50.27 161.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 71.02 58.83 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.494 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -90.1 149.05 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.91 125.26 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -100.36 136.23 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 p -131.7 114.27 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.56 ' HB3' HG12 ' A' ' 44' ' ' VAL . 67.0 p-90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.844 0.354 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.682 HG23 HG12 ' A' ' 8' ' ' ILE . 4.2 m -111.64 132.2 60.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.2 m -130.02 125.03 34.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -90.37 138.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -124.61 120.31 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.54 161.96 23.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.432 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.72 140.63 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.787 HD13 ' CE1' ' A' ' 32' ' ' TYR . 15.4 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.874 0.369 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 49.9 t -123.73 124.38 69.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.11 130.45 44.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.653 HG23 HG22 ' A' ' 8' ' ' ILE . 72.4 mt -125.24 125.89 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.76 124.83 51.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.695 HG22 HG23 ' A' ' 6' ' ' ILE . 9.4 pt -110.79 135.26 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.34 94.87 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.592 ' HB1' ' HB3' ' B' ' 15' ' ' GLU . . . -104.7 169.25 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -65.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.445 HG23 ' H ' ' B' ' 15' ' ' GLU . 10.9 t -99.36 179.76 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -74.1 -37.34 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -61.02 -33.04 72.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.592 ' HB3' ' HB1' ' B' ' 10' ' ' ALA . 1.1 mm-40 -64.89 -52.12 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.641 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -62.01 -40.92 97.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -64.11 -39.66 94.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -59.7 -46.14 89.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.494 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 18.8 m-85 -69.81 -38.21 76.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.94 76.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.674 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.56 -45.9 63.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.757 HD13 ' CG1' ' A' ' 26' ' ' VAL . 19.0 mt -68.03 -49.19 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.553 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -52.81 -39.42 62.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' B' ' 21' ' ' ALA . 11.1 mt -60.46 -42.84 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -66.12 -42.1 89.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.748 ' CG1' HD13 ' A' ' 22' ' ' ILE . 16.0 t -65.02 -40.16 88.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.573 ' HB3' HD13 ' B' ' 35' ' ' ILE . 4.0 m-85 -69.92 -42.34 73.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.63 92.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -18.47 63.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.642 HD12 ' O ' ' B' ' 26' ' ' VAL . 2.1 mt -91.92 3.67 54.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.88 4.62 78.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.504 ' OH ' HD12 ' B' ' 50' ' ' LEU . 29.3 m-85 -94.6 30.73 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -50.65 161.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t70 70.09 56.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.573 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -87.29 149.17 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -123.82 126.17 45.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -95.37 134.59 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 72.6 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.641 HG21 ' HB1' ' B' ' 16' ' ' ALA . 15.9 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.883 0.373 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 10.9 m -128.88 125.23 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -88.52 137.2 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.77 126.21 41.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.78 170.93 19.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -137.27 141.45 41.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.343 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.504 HD12 ' OH ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.36 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.74 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 30.2 t -130.82 121.85 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -130.11 124.75 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.607 HG23 HG22 ' B' ' 8' ' ' ILE . 67.2 mt -121.83 125.14 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.443 ' CB ' HG23 ' A' ' 45' ' ' THR . 0.7 OUTLIER -114.02 129.63 56.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.658 HG22 HG23 ' B' ' 6' ' ' ILE . 8.6 pt -113.63 135.31 53.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.428 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -115.77 94.8 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.62 169.08 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -32.32 57.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -132.42 157.8 43.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -65.06 -32.23 73.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -43.15 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.05 -42.41 84.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.555 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -63.54 -43.57 96.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -39.94 79.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -63.84 -34.34 77.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.782 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 42.3 m-85 -74.3 -45.79 45.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -45.12 77.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.24 -46.87 62.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.736 HD13 ' CG1' ' B' ' 26' ' ' VAL . 14.4 mt -67.49 -49.22 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.498 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.5 mm? -53.66 -39.5 65.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.1 mt -60.8 -42.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -66.06 -42.1 89.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' B' ' 22' ' ' ILE . 16.7 t -64.69 -40.35 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' HD12 ' A' ' 23' ' ' LEU . 8.0 m-85 -69.52 -42.42 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.61 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.02 -18.51 64.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.1 mt -91.21 -2.27 57.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.7 13.11 65.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.667 ' CG ' HD23 ' A' ' 50' ' ' LEU . 12.5 m-85 -93.9 34.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 110.93 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -50.13 161.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t0 70.23 57.8 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -89.05 149.0 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -123.49 122.98 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -104.26 136.97 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.3 p -132.89 128.88 37.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.428 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.864 0.364 . . . . 0.0 111.111 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.61 HG13 HG12 ' A' ' 8' ' ' ILE . 3.9 p -99.56 134.1 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.443 HG23 ' CB ' ' A' ' 7' ' ' SER . 7.1 m -132.47 128.0 36.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -93.26 138.0 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -127.48 126.04 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.94 167.31 21.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -138.7 141.01 38.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD23 ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.828 0.347 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.782 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 39.7 t -131.66 127.09 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -130.33 122.74 28.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.658 HG23 HG22 ' A' ' 8' ' ' ILE . 62.7 mt -119.03 125.28 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.21 124.37 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.647 HG12 HG13 ' B' ' 44' ' ' VAL . 9.7 pt -110.83 135.59 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.08 105.33 15.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' B' ' 16' ' ' ALA . . . -111.48 168.97 9.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.565 ' HG3' HG22 ' B' ' 12' ' ' THR . 15.8 ptm180 -83.99 -39.96 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.581 HG23 ' H ' ' B' ' 15' ' ' GLU . 2.6 t -130.77 159.2 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -56.29 -39.13 72.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -38.1 87.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.581 ' H ' HG23 ' B' ' 12' ' ' THR . 2.1 mm-40 -67.1 -52.07 46.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.642 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -60.78 -40.56 93.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -39.8 79.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -59.9 -40.13 87.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.74 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 33.0 m-85 -71.44 -42.85 67.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.69 -44.19 77.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.627 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -53.5 -42.36 67.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' A' ' 26' ' ' VAL . 21.1 mt -69.31 -49.33 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.599 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.8 OUTLIER -54.3 -39.0 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.5 mt -61.93 -42.58 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -65.88 -42.06 90.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.736 ' CG1' HD13 ' A' ' 22' ' ' ILE . 15.4 t -64.49 -41.15 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.599 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.8 m-85 -68.01 -41.93 81.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.4 94.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.94 -18.8 64.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 27.4 mt -91.63 -2.55 57.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.62 14.18 63.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.636 ' CD1' HD23 ' B' ' 50' ' ' LEU . 12.6 m-85 -93.84 34.9 1.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.92 0.39 . . . . 0.0 110.97 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -50.13 162.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 71.55 57.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.87 149.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -131.62 127.81 37.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 14.7 p -100.26 136.89 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.647 HG13 HG12 ' B' ' 8' ' ' ILE . 3.3 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.917 0.389 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.6 m -128.89 127.91 42.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.407 HG12 ' HB ' ' B' ' 6' ' ' ILE . 9.7 p -91.62 139.51 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -126.82 126.67 43.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.79 165.06 21.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -135.59 131.13 35.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.636 HD23 ' CD1' ' B' ' 32' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.921 0.391 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.795 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 40.8 t -131.2 124.97 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -130.3 127.32 39.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.585 HG23 HG22 ' B' ' 8' ' ' ILE . 70.4 mt -123.25 125.4 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.32 127.16 55.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.722 HG22 HG23 ' B' ' 6' ' ' ILE . 10.3 pt -110.88 135.14 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -111.27 100.18 8.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -110.51 169.09 8.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -74.2 -56.33 5.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 15' ' ' GLU . 3.7 t -106.28 160.52 15.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -38.44 87.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -32.8 71.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.535 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 6.4 mm-40 -67.11 -38.55 85.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB1' ' CG2' ' A' ' 44' ' ' VAL . . . -68.29 -37.01 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -70.02 -36.73 75.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmpm? -59.35 -34.36 72.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 21.8 m-85 -86.73 -39.38 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.68 -42.46 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -53.95 -44.63 70.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.759 HD13 ' CG1' ' B' ' 26' ' ' VAL . 18.1 mt -67.84 -49.11 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.542 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -53.34 -39.58 64.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.2 mt -60.54 -42.8 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -65.7 -42.19 91.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.754 ' CG1' HD13 ' B' ' 22' ' ' ILE . 16.9 t -64.7 -40.34 88.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.542 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.5 m-85 -69.2 -42.43 75.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.94 90.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -18.56 63.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.5 mt -90.77 -1.3 57.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.92 11.76 67.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -94.69 35.21 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -50.16 161.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.73 59.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -91.11 149.0 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -124.75 122.71 38.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.4 136.99 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.0 p -136.87 126.73 25.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.488 ' HB3' HG12 ' A' ' 44' ' ' VAL . 53.1 p-90 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 9' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.492 ' CG2' ' HB1' ' A' ' 16' ' ' ALA . 18.4 m -96.41 136.07 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.9 m -128.41 124.49 36.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -89.59 138.32 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -126.03 117.42 23.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.9 151.41 19.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.41 146.5 50.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.8 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.816 0.341 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.58 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 51.9 t -128.11 125.33 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.29 127.49 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.722 HG23 HG22 ' A' ' 8' ' ' ILE . 61.8 mt -124.84 125.39 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.25 126.54 55.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.666 HG12 HG23 ' B' ' 44' ' ' VAL . 10.4 pt -110.75 135.33 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.25 96.88 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.97 169.09 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.102 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -74.98 -65.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.546 HG23 ' H ' ' B' ' 15' ' ' GLU . 6.0 t -101.44 162.87 12.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -61.37 -41.32 96.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -33.88 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.546 ' H ' HG23 ' B' ' 12' ' ' THR . 23.4 mt-10 -67.04 -52.17 45.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.811 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.655 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -60.53 -41.3 94.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.85 -39.89 78.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -60.02 -34.44 73.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.795 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 38.2 m-85 -76.92 -42.98 37.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.17 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.062 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.612 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.43 -46.06 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.754 HD13 ' CG1' ' A' ' 26' ' ' VAL . 14.3 mt -68.85 -49.15 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.592 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -52.44 -40.21 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' B' ' 21' ' ' ALA . 11.8 mt -59.75 -43.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -65.12 -42.14 94.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.759 ' CG1' HD13 ' A' ' 22' ' ' ILE . 17.0 t -64.68 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.592 ' CE2' HD12 ' B' ' 23' ' ' LEU . 8.5 m-85 -68.93 -42.47 76.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.88 88.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -18.51 64.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.9 mt -90.8 -2.74 57.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.99 12.57 65.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.67 ' CE1' HD13 ' B' ' 50' ' ' LEU . 14.7 m-85 -94.69 35.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -49.8 161.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 t0 70.55 59.28 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.49 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -89.95 149.07 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.58 124.48 36.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.8 p -101.24 137.0 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.666 HG23 HG12 ' B' ' 8' ' ' ILE . 4.5 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.878 0.37 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.5 m -128.99 125.17 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -90.55 138.23 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -124.96 120.95 33.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.75 153.19 20.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.74 156.59 37.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.353 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.67 HD13 ' CE1' ' B' ' 32' ' ' TYR . 17.4 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.838 0.351 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.688 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 38.8 t -128.89 123.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -130.11 125.36 34.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.573 HG12 HG23 ' B' ' 8' ' ' ILE . 28.7 mt -119.58 125.77 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.79 127.09 55.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.73 HG22 HG23 ' B' ' 6' ' ' ILE . 8.4 pt -113.24 135.34 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.04 100.96 8.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.32 159.01 16.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.51 ' HG3' HG22 ' A' ' 12' ' ' THR . 9.4 ptp180 -69.37 -25.22 64.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.51 HG22 ' HG3' ' A' ' 11' ' ' ARG . 1.7 t -139.86 149.84 43.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -56.46 -36.02 68.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.01 82.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' H ' HG23 ' A' ' 12' ' ' THR . 41.5 mt-10 -67.07 -52.21 44.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.605 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -59.84 -41.43 91.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.08 -39.9 83.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -62.21 -46.07 90.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 17.6 m-85 -64.62 -41.07 96.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.18 76.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -53.77 -44.06 69.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.754 HD13 ' CG1' ' B' ' 26' ' ' VAL . 19.8 mt -68.32 -49.14 69.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.755 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -53.53 -40.62 65.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.3 mt -59.75 -42.89 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -65.96 -42.14 90.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' B' ' 22' ' ' ILE . 18.2 t -64.55 -40.69 89.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.755 ' CE2' HD12 ' A' ' 23' ' ' LEU . 9.1 m-85 -65.97 -42.52 89.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.15 -46.11 88.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -18.83 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.442 ' CD1' HG12 ' A' ' 26' ' ' VAL . 31.3 mt -88.61 -12.01 43.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.32 11.7 51.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.536 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 17.8 m-85 -94.07 36.39 1.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.936 0.398 . . . . 0.0 110.939 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -49.04 161.54 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t70 70.31 57.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.445 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -87.82 148.97 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -130.3 121.45 26.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.5 p -101.82 136.83 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 p -129.71 123.12 30.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.816 0.341 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.649 HG23 HG12 ' A' ' 8' ' ' ILE . 5.2 m -110.07 133.05 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.2 m -130.4 123.41 29.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 6' ' ' ILE . 7.9 p -88.81 139.5 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.2 116.49 22.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.07 147.42 17.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.41 140.75 51.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.536 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.688 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 58.3 t -132.2 125.02 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -130.32 128.17 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.73 HG23 HG22 ' A' ' 8' ' ' ILE . 54.4 mt -125.13 125.65 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.07 135.15 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.573 HG23 HG12 ' A' ' 6' ' ' ILE . 26.5 mt -110.58 135.33 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -101.35 73.53 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.73 149.07 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -78.02 -41.24 36.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.44 148.68 37.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.175 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -27.88 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -59.08 -43.3 91.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.01 -52.17 45.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.666 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -59.06 -39.32 81.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.44 -46.07 87.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -60.58 -38.29 84.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.688 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 48.9 m-85 -71.35 -45.8 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.99 -43.88 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.54 -47.59 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.758 HD13 ' CG1' ' A' ' 26' ' ' VAL . 6.9 mt -68.08 -47.45 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.635 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.4 mm? -51.81 -40.26 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' B' ' 21' ' ' ALA . 9.1 mt -59.35 -43.96 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -65.11 -42.1 94.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.754 ' CG1' HD13 ' A' ' 22' ' ' ILE . 17.0 t -64.84 -40.31 88.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.635 ' CE2' HD12 ' B' ' 23' ' ' LEU . 10.6 m-85 -68.75 -43.11 76.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.48 90.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -18.55 64.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -90.31 -12.1 38.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.27 12.16 49.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.567 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 20.1 m-85 -94.37 36.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.383 . . . . 0.0 110.92 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -49.23 161.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 70.53 58.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.467 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.8 OUTLIER -87.64 149.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -128.58 120.54 26.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -104.57 137.01 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.666 HG11 ' HB1' ' B' ' 16' ' ' ALA . 12.5 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.851 0.358 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 26.0 m -125.15 123.0 38.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.7 p -98.11 137.21 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -120.68 117.07 26.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLY . . . . . 0.429 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.88 143.37 14.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.55 146.43 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.567 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 79.0 t -131.75 127.06 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.31 128.13 40.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.554 HD12 ' CD1' ' A' ' 23' ' ' LEU . 27.4 mt -125.09 132.09 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.93 132.98 56.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.713 ' O ' HG22 ' A' ' 43' ' ' THR . 28.7 mt -110.19 135.47 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.66 75.95 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.56 148.15 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -77.11 -41.55 41.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.05 147.08 37.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -25.61 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -43.04 98.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.91 -52.21 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.53 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -59.86 -41.22 90.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.24 -41.31 98.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -67.25 -37.36 83.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -73.58 -41.76 62.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -45.89 78.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.715 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.93 -47.13 64.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.713 HD13 ' CG1' ' B' ' 26' ' ' VAL . 8.1 mt -65.07 -49.17 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.554 ' CD1' HD12 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -53.48 -38.7 63.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.6 mt -61.71 -42.7 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.1 -42.0 89.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.72 ' CG1' HD13 ' B' ' 22' ' ' ILE . 13.5 t -65.08 -40.74 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.1 m-85 -67.97 -41.14 82.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.49 94.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.11 -18.58 63.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.5 mt -92.19 0.52 57.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 8.8 72.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -94.67 33.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -50.06 161.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t70 71.26 61.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.486 HD11 ' HA3' ' A' ' 48' ' ' GLY . 0.6 OUTLIER -93.74 148.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -137.03 132.17 33.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.02 137.43 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p -135.96 113.84 11.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.1 m95 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.838 0.351 . . . . 0.0 111.123 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.53 HG21 ' HB1' ' A' ' 16' ' ' ALA . 35.7 m -73.18 129.39 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.2 m -125.0 115.91 21.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -89.87 135.22 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -118.11 118.67 32.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.486 ' HA3' HD11 ' A' ' 35' ' ' ILE . . . -128.76 142.45 13.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.49 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.88 142.65 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.9 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.68 127.04 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -130.27 124.34 32.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.548 HD12 HD11 ' B' ' 23' ' ' LEU . 32.0 mt -124.3 125.78 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.89 137.28 52.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.413 HG23 HG12 ' A' ' 6' ' ' ILE . 28.0 mt -110.22 135.48 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.77 74.63 1.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' B' ' 16' ' ' ALA . . . -100.52 151.68 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.029 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -74.41 -41.5 60.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.89 156.94 23.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -70.12 -26.77 64.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -42.28 99.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.21 -52.08 45.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.73 ' HB1' ' CG1' ' B' ' 44' ' ' VAL . . . -61.33 -42.46 98.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.91 -41.03 81.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -62.86 -34.91 78.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -73.9 -40.95 62.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.53 78.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.5 -47.86 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.72 HD13 ' CG1' ' A' ' 26' ' ' VAL . 5.9 mt -66.56 -48.6 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.572 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.0 OUTLIER -51.89 -40.55 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' B' ' 21' ' ' ALA . 10.0 mt -59.32 -44.75 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -64.12 -42.07 96.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.713 ' CG1' HD13 ' A' ' 22' ' ' ILE . 13.8 t -65.29 -40.26 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.572 ' CE2' HD12 ' B' ' 23' ' ' LEU . 5.7 m-85 -70.24 -42.34 72.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.59 92.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -18.57 64.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -91.37 -1.66 57.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.63 12.85 66.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.37 35.41 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -49.94 161.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.55 59.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.466 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -90.75 149.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -125.17 123.03 38.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -110.27 137.1 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.73 ' CG1' ' HB1' ' B' ' 16' ' ' ALA . 11.8 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.948 0.404 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 42.2 m -123.08 137.58 54.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.2 p -114.94 137.06 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -122.32 116.61 24.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLY . . . . . 0.439 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.99 143.98 14.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.29 154.3 35.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.6 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.86 125.25 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -130.39 118.88 21.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.556 HD12 HD11 ' A' ' 23' ' ' LEU . 37.1 mt -115.98 125.75 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.34 126.03 54.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.737 HG22 HG23 ' B' ' 6' ' ' ILE . 8.5 pt -113.01 135.3 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.82 99.49 7.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -107.19 169.11 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -69.72 -52.04 29.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.482 HG23 ' H ' ' A' ' 15' ' ' GLU . 3.3 t -117.02 159.98 21.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -59.6 -39.92 85.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -34.41 72.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.482 ' H ' HG23 ' A' ' 12' ' ' THR . 11.3 mm-40 -67.07 -52.08 46.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.634 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -62.16 -43.11 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.06 -39.77 79.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -59.98 -33.18 71.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -80.21 -38.07 31.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.59 -44.14 76.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.632 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.82 -44.92 63.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' B' ' 26' ' ' VAL . 18.2 mt -68.35 -49.24 68.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.6 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -53.9 -39.35 65.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.7 mt -61.02 -42.61 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -65.97 -42.1 90.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.747 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.7 t -64.63 -40.68 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.9 m-85 -67.85 -42.29 81.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.87 90.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -18.81 63.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 30' ' ' LEU . 22.4 mt -90.56 -0.54 57.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 10.69 69.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.638 ' CE1' HD13 ' A' ' 50' ' ' LEU . 17.0 m-85 -94.66 34.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.898 0.38 . . . . 0.0 110.913 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -50.5 161.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 70.31 57.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.493 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -87.79 149.03 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.78 124.57 35.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -101.7 136.12 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 p -128.96 116.3 19.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.409 ' HB3' HG12 ' A' ' 44' ' ' VAL . 69.6 p-90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.81 0.338 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.649 HG23 HG12 ' A' ' 8' ' ' ILE . 5.8 m -109.81 132.58 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -129.99 122.02 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -87.82 138.29 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -126.26 120.71 30.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.23 151.65 19.95 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.58 154.77 38.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.638 HD13 ' CE1' ' A' ' 32' ' ' TYR . 15.3 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 67.6 t -120.9 127.34 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -130.33 124.44 32.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.737 HG23 HG22 ' A' ' 8' ' ' ILE . 54.5 mt -125.21 125.72 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 3.0 t -114.06 136.8 52.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.502 HG23 HG12 ' A' ' 6' ' ' ILE . 27.0 mt -110.53 135.26 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.58 74.06 1.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.07 166.43 10.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -80.45 -71.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.449 HG23 ' H ' ' B' ' 15' ' ' GLU . 7.3 t -86.82 -172.48 4.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -86.45 -37.8 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -33.23 68.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.449 ' H ' HG23 ' B' ' 12' ' ' THR . 19.5 mt-10 -67.75 -49.39 62.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.648 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -68.44 -39.43 81.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -63.01 -36.97 85.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -62.95 -32.03 73.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -83.79 -39.49 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.84 -43.62 77.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.712 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.59 -46.86 63.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.747 HD13 ' CG1' ' A' ' 26' ' ' VAL . 7.1 mt -67.78 -48.56 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.551 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.2 mm? -51.74 -39.08 57.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' B' ' 21' ' ' ALA . 10.1 mt -60.83 -43.85 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -64.93 -42.09 94.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' A' ' 22' ' ' ILE . 14.4 t -65.09 -40.09 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.551 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.7 m-85 -70.48 -42.49 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.73 91.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -18.44 64.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -91.46 -1.43 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.72 12.36 66.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.745 ' CE1' HD13 ' B' ' 50' ' ' LEU . 13.1 m-85 -94.25 35.79 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -49.61 160.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 t0 68.52 64.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -92.5 148.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -125.84 120.21 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.8 137.05 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.648 HG11 ' HB1' ' B' ' 16' ' ' ALA . 12.3 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.948 0.404 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.1 m -121.08 117.68 27.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -92.98 136.16 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -121.79 122.93 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.97 149.05 19.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.82 153.07 35.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.745 HD13 ' CE1' ' B' ' 32' ' ' TYR . 18.3 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.882 0.372 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.0 t -131.8 124.84 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -130.32 121.47 26.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.683 HG23 HG22 ' B' ' 8' ' ' ILE . 64.0 mt -120.39 125.16 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.76 125.55 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.634 HG22 HG23 ' B' ' 6' ' ' ILE . 9.7 pt -110.91 135.62 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.539 HG23 HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -111.61 93.25 4.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.04 169.03 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -75.62 -65.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 15' ' ' GLU . 4.1 t -98.99 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -62.02 -40.75 96.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -57.86 -34.14 69.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.515 ' H ' HG23 ' A' ' 12' ' ' THR . 7.0 mm-40 -66.98 -52.04 47.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.632 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.84 -40.76 89.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -39.99 79.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -62.01 -38.59 89.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.785 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 32.2 m-85 -70.01 -45.0 68.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.26 76.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.33 -46.06 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.764 HD13 ' CG1' ' B' ' 26' ' ' VAL . 15.0 mt -69.11 -49.15 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.616 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.0 OUTLIER -52.45 -40.64 62.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.7 mt -59.07 -42.82 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -66.05 -42.07 89.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' B' ' 22' ' ' ILE . 16.7 t -64.45 -40.39 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.616 ' CE2' HD12 ' A' ' 23' ' ' LEU . 8.1 m-85 -69.63 -42.5 74.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.5 91.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.94 -18.54 64.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.1 mt -91.21 -2.35 57.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 13.45 64.6 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -94.66 34.98 1.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -49.84 161.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 70.42 56.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -86.6 149.01 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.89 124.44 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 p -101.46 137.06 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 p -130.83 116.25 17.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.539 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.846 0.355 . . . . 0.0 111.124 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.632 HG11 ' HB1' ' A' ' 16' ' ' ALA . 3.5 p -102.39 132.69 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.4 m -128.61 128.66 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.97 138.6 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -125.69 119.69 28.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.83 152.29 19.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.31 150.88 49.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.1 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.785 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 45.0 t -131.76 125.11 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -130.41 125.62 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.634 HG23 HG22 ' A' ' 8' ' ' ILE . 68.7 mt -120.85 125.38 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.39 125.43 53.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.683 HG22 HG23 ' A' ' 6' ' ' ILE . 9.6 pt -111.44 135.45 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.31 114.45 25.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.91 169.02 12.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -75.22 -40.2 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -121.91 158.28 29.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -63.86 -37.0 85.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -57.99 -34.87 70.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -33.77 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 1.016 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -68.22 -43.64 77.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.07 -36.91 85.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -60.36 -31.93 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -90.82 -39.97 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.76 73.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.633 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -54.51 -44.56 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.758 HD13 ' CG1' ' A' ' 26' ' ' VAL . 16.5 mt -68.24 -49.03 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.594 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.8 OUTLIER -52.64 -40.37 62.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.4 mt -59.75 -43.91 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -64.58 -42.12 95.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.764 ' CG1' HD13 ' A' ' 22' ' ' ILE . 17.5 t -64.81 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.594 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.0 m-85 -68.92 -42.36 76.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.84 90.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -18.53 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.8 mt -91.02 -0.84 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.83 11.38 68.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -94.73 35.11 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.941 0.4 . . . . 0.0 110.951 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -50.4 161.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 70.61 58.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.478 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -89.29 148.88 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.08 124.98 40.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -102.12 136.94 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 1.016 HG21 ' HB1' ' B' ' 16' ' ' ALA . 6.5 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.916 0.389 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 10.8 m -131.42 126.67 35.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.6 p -91.04 138.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.92 119.94 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.9 151.52 19.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.86 153.75 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 45.1 tp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.86 0.362 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.38 124.05 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -130.21 121.33 26.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.604 HD12 HD11 ' A' ' 23' ' ' LEU . 24.2 mt -117.05 125.68 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.98 125.06 51.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.76 HG22 HG23 ' B' ' 6' ' ' ILE . 8.9 pt -112.4 135.28 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.48 97.02 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.76 169.06 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.629 ' HG3' HG22 ' A' ' 12' ' ' THR . 7.2 ptm180 -74.03 -34.97 64.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.629 HG22 ' HG3' ' A' ' 11' ' ' ARG . 2.1 t -137.98 158.79 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -56.5 -40.45 75.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -38.02 77.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 12' ' ' THR . 10.2 mm-40 -66.95 -52.08 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.687 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -61.37 -42.26 98.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.14 -39.87 79.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -60.49 -32.27 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -80.67 -38.54 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.17 77.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.74 -45.77 63.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' B' ' 26' ' ' VAL . 15.3 mt -67.72 -49.11 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.604 HD11 HD12 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -53.8 -39.65 65.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.6 mt -60.65 -42.67 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -66.04 -42.12 89.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.741 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.5 t -64.55 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.567 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.9 m-85 -69.05 -42.17 76.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.75 91.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -18.57 63.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.72 -0.18 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.97 10.19 69.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.742 ' CE1' HD13 ' A' ' 50' ' ' LEU . 17.8 m-85 -94.59 34.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -50.33 161.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 70.55 57.99 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -88.16 146.35 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -124.78 125.6 44.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -102.54 134.98 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.7 p -130.07 127.27 39.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.767 0.318 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.687 HG11 ' HB1' ' A' ' 16' ' ' ALA . 2.8 p -106.7 132.77 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.5 m -130.65 126.44 36.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.05 138.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -126.07 120.78 31.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.23 151.7 19.52 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.85 141.45 51.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.742 HD13 ' CE1' ' A' ' 32' ' ' TYR . 15.4 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.883 0.373 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 90.8 t -125.86 129.95 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.586 ' NE ' HG21 ' B' ' 45' ' ' THR . 20.9 ttt85 -130.41 123.21 29.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.76 HG23 HG22 ' A' ' 8' ' ' ILE . 55.3 mt -125.14 125.74 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 2.6 t -114.68 137.01 52.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.537 HG23 HG12 ' A' ' 6' ' ' ILE . 27.2 mt -110.46 135.37 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.26 73.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.01 164.57 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.1 -68.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.433 HG23 ' H ' ' B' ' 15' ' ' GLU . 8.6 t -96.96 164.4 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -64.72 -30.85 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -43.1 89.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.433 ' H ' HG23 ' B' ' 12' ' ' THR . 0.8 OUTLIER -64.82 -52.14 58.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.643 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -60.47 -38.23 83.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.87 -39.9 94.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -59.91 -32.09 70.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.407 ' HB2' HD13 ' B' ' 8' ' ' ILE . 44.5 m-85 -83.04 -39.5 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.88 -43.61 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.36 -47.11 62.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.741 HD13 ' CG1' ' A' ' 26' ' ' VAL . 6.6 mt -67.89 -48.3 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.575 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -51.72 -39.7 58.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' B' ' 21' ' ' ALA . 9.8 mt -60.18 -44.5 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -64.35 -42.01 96.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' A' ' 22' ' ' ILE . 14.0 t -65.2 -40.15 87.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.575 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.5 m-85 -70.37 -42.43 71.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.7 91.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -18.42 64.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 37.9 mt -91.4 -2.2 57.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.73 13.26 65.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.611 ' CE1' HD13 ' B' ' 50' ' ' LEU . 13.2 m-85 -94.42 35.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.407 . . . . 0.0 110.967 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -49.69 161.47 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 70.54 56.34 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.467 HD11 ' HA3' ' B' ' 48' ' ' GLY . 0.7 OUTLIER -85.97 149.03 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -127.48 121.51 30.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 p -101.36 136.73 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.643 HG11 ' HB1' ' B' ' 16' ' ' ALA . 12.2 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.909 0.385 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' THR . . . . . 0.586 HG21 ' NE ' ' B' ' 5' ' ' ARG . 7.0 m -121.2 121.08 37.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.8 p -97.14 136.31 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -119.46 116.74 26.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLY . . . . . 0.467 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.84 141.58 12.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.53 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.438 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 2.4 pm0 -121.19 144.33 48.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.611 HD13 ' CE1' ' B' ' 32' ' ' TYR . 20.4 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.818 0.342 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.774 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 44.6 t -107.91 127.61 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.578 ' CZ ' HG21 ' A' ' 45' ' ' THR . 42.0 ttt85 -130.14 119.02 22.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.684 HG23 HG22 ' B' ' 8' ' ' ILE . 64.1 mt -117.03 125.4 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.16 119.11 38.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.69 HG22 HG23 ' B' ' 6' ' ' ILE . 14.5 pt -110.1 135.14 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.078 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.97 126.76 55.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . . . -129.82 168.91 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.402 ' HG3' HG22 ' A' ' 12' ' ' THR . 10.6 ptm180 -73.85 -30.86 62.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.1 t -141.98 153.66 44.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -53.69 -36.55 62.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mmpp? -63.47 -37.89 89.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.926 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.554 ' H ' HG23 ' A' ' 12' ' ' THR . 2.0 mm-40 -66.81 -52.08 48.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.58 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -64.2 -36.21 83.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.79 -39.88 78.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -62.62 -31.94 72.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -77.02 -42.28 39.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.51 -42.5 74.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -54.68 -43.26 72.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.748 HD13 ' CG1' ' B' ' 26' ' ' VAL . 19.5 mt -68.54 -49.01 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.644 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -53.07 -39.48 63.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.9 mt -61.11 -43.48 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.87 -42.19 95.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.749 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.7 t -64.64 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.644 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.5 m-85 -67.76 -42.19 82.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.91 96.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -18.44 64.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.2 mt -93.39 -0.39 56.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 11.73 67.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.665 ' CD1' HD23 ' A' ' 50' ' ' LEU . 12.2 m-85 -94.31 32.81 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -50.17 161.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 69.86 59.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -89.58 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -125.7 126.59 44.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -103.04 135.81 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -132.09 116.19 16.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.786 0.327 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.58 HG21 ' HB1' ' A' ' 16' ' ' ALA . 52.9 t -94.6 131.75 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.578 HG21 ' CZ ' ' A' ' 5' ' ' ARG . 96.8 m -142.51 136.25 29.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.0 p -115.85 136.75 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -125.99 128.4 47.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.39 160.53 24.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.72 141.87 51.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.665 HD23 ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.91 126.42 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -130.27 121.07 25.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.69 HG23 HG22 ' A' ' 8' ' ' ILE . 72.4 mt -119.89 125.05 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.48 124.89 53.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.684 HG22 HG23 ' A' ' 6' ' ' ILE . 9.0 pt -110.82 135.3 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -114.13 100.56 8.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.74 169.05 8.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -78.3 -39.96 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.419 HG23 ' H ' ' B' ' 15' ' ' GLU . 1.7 t -122.79 158.34 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.5 -38.66 91.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.91 -36.45 72.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.419 ' H ' HG23 ' B' ' 12' ' ' THR . 16.3 mm-40 -67.09 -52.07 46.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.733 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -58.8 -40.55 84.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -57.83 -39.87 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -64.59 -33.79 76.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.774 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 31.2 m-85 -72.9 -44.19 61.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.76 -44.39 77.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.598 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.22 -46.17 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.749 HD13 ' CG1' ' A' ' 26' ' ' VAL . 19.6 mt -68.65 -49.24 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.52 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -53.35 -39.6 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.4 mt -60.38 -42.84 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -66.08 -42.17 89.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.748 ' CG1' HD13 ' A' ' 22' ' ' ILE . 16.1 t -64.8 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.52 ' CE2' HD12 ' B' ' 23' ' ' LEU . 5.6 m-85 -69.39 -42.11 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.43 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -18.54 64.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.594 HD12 ' O ' ' B' ' 26' ' ' VAL . 5.1 mt -91.97 0.31 57.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.64 9.97 71.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.665 ' CD1' HD23 ' B' ' 50' ' ' LEU . 14.7 m-85 -94.03 33.3 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.905 0.383 . . . . 0.0 110.96 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -50.4 161.35 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 69.11 59.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.496 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -89.08 149.2 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.22 128.61 43.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.451 ' CG2' HG23 ' B' ' 44' ' ' VAL . 8.9 p -98.48 137.09 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.733 HG11 ' HB1' ' B' ' 16' ' ' ALA . 3.3 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.888 0.375 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.8 m -129.48 133.5 47.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -99.18 137.46 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -128.62 129.0 45.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.49 170.86 21.78 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.82 146.69 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.665 HD23 ' CD1' ' B' ' 32' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.761 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 40.8 t -132.08 129.57 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.46 118.87 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.658 HG23 HG22 ' B' ' 8' ' ' ILE . 64.8 mt -116.55 125.39 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.52 118.6 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.644 HG22 HG23 ' B' ' 6' ' ' ILE . 13.9 pt -110.0 135.12 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.33 129.14 56.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . . . -132.85 165.1 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.58 ' HG3' HG22 ' A' ' 12' ' ' THR . 10.1 ptt180 -71.9 -37.12 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.593 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.6 t -134.25 156.94 47.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -35.96 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -38.29 90.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.593 ' H ' HG23 ' A' ' 12' ' ' THR . 2.7 mm-40 -67.01 -52.11 46.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.722 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -62.54 -37.44 86.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.87 -39.9 78.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -62.58 -31.97 72.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -76.66 -43.5 37.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.48 -42.57 74.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.652 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -55.04 -42.16 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.075 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.742 HD13 ' CG1' ' B' ' 26' ' ' VAL . 21.8 mt -69.06 -48.93 66.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.589 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -53.62 -39.24 64.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.0 mt -61.57 -43.15 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -65.31 -42.22 93.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.747 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.6 t -64.47 -40.51 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.589 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.2 m-85 -69.42 -39.52 77.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.33 94.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -18.46 64.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -92.42 -2.68 56.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.78 14.03 63.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.8 m-85 -93.77 34.79 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.907 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -49.97 161.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t70 69.28 64.61 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -93.85 144.83 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -122.26 123.87 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 45' ' ' THR . 11.2 p -101.88 135.01 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.3 p -128.89 116.94 20.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.722 HG21 ' HB1' ' A' ' 16' ' ' ALA . 61.6 t -93.64 132.6 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 37' ' ' VAL . 96.7 m -142.4 138.11 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -118.65 139.18 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -126.34 121.69 33.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.84 148.57 19.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.74 150.38 40.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.481 HD13 ' C ' ' A' ' 50' ' ' LEU . 2.9 tm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 62.6 t -132.16 125.95 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -130.42 119.37 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.644 HG23 HG22 ' A' ' 8' ' ' ILE . 72.9 mt -116.23 125.24 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.37 125.44 54.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.658 HG22 HG23 ' A' ' 6' ' ' ILE . 8.2 pt -112.18 135.44 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.89 93.39 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.88 169.43 8.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -71.97 -63.59 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.454 HG23 ' H ' ' B' ' 15' ' ' GLU . 7.9 t -94.8 -172.19 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -88.0 -38.16 15.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -32.8 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.454 ' H ' HG23 ' B' ' 12' ' ' THR . 0.3 OUTLIER -67.18 -36.58 82.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.768 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -68.48 -37.07 79.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -70.06 -37.12 75.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -61.83 -33.65 74.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.951 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.761 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 41.2 m-85 -82.21 -45.26 15.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.13 78.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.6 -46.96 63.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.747 HD13 ' CG1' ' A' ' 26' ' ' VAL . 22.4 mt -68.96 -49.19 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.493 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -52.51 -41.7 63.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' B' ' 21' ' ' ALA . 13.3 mt -58.62 -42.91 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -66.18 -42.14 89.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.742 ' CG1' HD13 ' A' ' 22' ' ' ILE . 18.5 t -63.65 -41.27 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.493 ' CE2' HD12 ' B' ' 23' ' ' LEU . 7.9 m-85 -67.75 -42.07 82.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.35 94.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.95 -18.85 64.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 28.1 mt -91.55 -2.42 57.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.77 13.04 65.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.583 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 16.6 m-85 -94.62 35.48 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -50.49 161.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 70.58 57.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.422 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -86.17 146.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.152 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -126.78 123.15 36.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 p -100.6 137.06 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 12.8 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.768 HG11 ' HB1' ' B' ' 16' ' ' ALA . 3.5 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.881 0.372 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 11.7 m -130.54 126.41 36.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.422 HG12 ' HB ' ' B' ' 6' ' ' ILE . 8.9 p -91.79 139.26 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -124.66 119.71 29.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.87 149.61 18.5 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.26 141.05 51.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.583 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.683 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 41.1 t -120.4 128.6 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.406 ' HG3' HG22 ' A' ' 45' ' ' THR . 5.6 ttp180 -130.04 127.57 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.678 HG23 HG22 ' B' ' 8' ' ' ILE . 75.3 mt -123.99 125.7 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.45 119.05 38.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.714 HG22 ' CG2' ' B' ' 6' ' ' ILE . 2.1 pp -115.43 130.35 70.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.675 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -110.22 147.8 33.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.685 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -146.12 165.84 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -63.52 -49.1 74.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -128.45 174.27 9.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -61.73 -37.42 84.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -39.13 90.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.685 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 53.1 mm-40 -67.19 -51.12 57.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.46 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.85 -39.68 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -39.98 85.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -60.99 -45.57 94.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.786 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 40.1 m-85 -66.54 -46.8 74.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -43.88 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.698 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -55.76 -45.18 78.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.759 HD13 HG11 ' B' ' 26' ' ' VAL . 19.9 mt -64.02 -49.1 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.72 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -54.38 -41.58 69.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.6 mt -59.45 -42.8 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -65.12 -42.25 94.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.802 HG11 HD13 ' B' ' 22' ' ' ILE . 16.6 t -64.79 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.72 ' CE2' HD12 ' A' ' 23' ' ' LEU . 9.9 m-85 -65.55 -42.26 92.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -45.69 91.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -18.89 64.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.443 ' CD1' HG12 ' A' ' 26' ' ' VAL . 17.0 mt -91.03 -2.11 57.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 12.49 66.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.647 ' CG ' HD23 ' A' ' 50' ' ' LEU . 12.7 m-85 -94.24 34.9 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.906 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -49.41 161.92 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t0 71.9 56.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.509 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -90.71 149.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -130.79 126.92 37.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.5 p -98.6 137.09 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -131.52 113.94 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.675 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.79 0.329 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.46 HG11 ' HB1' ' A' ' 16' ' ' ALA . 2.5 p -107.27 132.56 54.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.406 HG22 ' HG3' ' A' ' 5' ' ' ARG . 9.2 m -127.95 132.37 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.401 HG11 ' HE2' ' A' ' 27' ' ' PHE . 9.5 p -94.62 139.45 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -127.11 124.48 39.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.77 165.71 21.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -135.09 132.74 38.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.647 HD23 ' CG ' ' A' ' 32' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.828 0.347 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.786 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 41.3 t -122.06 123.83 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -130.33 127.64 39.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.714 ' CG2' HG22 ' A' ' 8' ' ' ILE . 84.6 mt -125.03 125.69 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.71 129.87 56.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.678 HG22 HG23 ' A' ' 6' ' ' ILE . 12.4 pt -110.78 135.21 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.97 93.79 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.87 169.11 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -83.78 -44.14 14.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.428 HG23 ' H ' ' B' ' 15' ' ' GLU . 1.6 t -111.41 158.05 19.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -36.46 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -41.16 82.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.428 ' H ' HG23 ' B' ' 12' ' ' THR . 33.3 mt-10 -62.88 -33.95 76.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.749 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -68.33 -37.04 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -70.07 -37.19 75.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -63.5 -36.95 85.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.683 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 27.5 m-85 -77.59 -44.63 27.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.71 77.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.646 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.63 -46.55 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.802 HD13 HG11 ' A' ' 26' ' ' VAL . 14.8 mt -66.71 -49.19 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.508 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.2 mm? -54.06 -39.14 66.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' B' ' 21' ' ' ALA . 11.5 mt -61.41 -42.52 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -65.94 -42.13 90.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.759 HG11 HD13 ' A' ' 22' ' ' ILE . 15.6 t -64.68 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.508 ' CE2' HD12 ' B' ' 23' ' ' LEU . 7.1 m-85 -68.04 -42.69 80.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.66 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -18.8 64.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.7 -9.98 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.56 12.11 54.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.544 ' OH ' HD12 ' B' ' 50' ' ' LEU . 18.9 m-85 -94.34 36.01 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.941 0.4 . . . . 0.0 110.922 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -49.59 161.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.45 57.69 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.447 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -88.18 149.1 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.29 123.52 34.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.99 137.05 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.177 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.749 HG21 ' HB1' ' B' ' 16' ' ' ALA . 4.0 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.922 0.391 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 6.4 m -131.75 125.55 32.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -90.42 137.03 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -121.15 120.2 34.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.88 150.79 18.85 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.79 144.91 50.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.544 HD12 ' OH ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 51.4 t -107.97 123.71 63.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -130.27 122.76 28.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.669 HG23 HG22 ' B' ' 8' ' ' ILE . 64.2 mt -120.14 125.31 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.57 124.88 52.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.665 HG22 HG23 ' B' ' 6' ' ' ILE . 9.6 pt -110.98 135.43 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.469 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -111.85 102.27 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.15 169.01 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.582 ' HG3' HG22 ' A' ' 12' ' ' THR . 13.9 ptt180 -72.3 -41.67 66.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.582 HG22 ' HG3' ' A' ' 11' ' ' ARG . 3.4 t -132.5 160.29 36.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -37.34 75.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -41.16 82.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.493 ' H ' HG23 ' A' ' 12' ' ' THR . 0.3 OUTLIER -67.13 -52.06 46.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.654 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.55 -41.32 89.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -39.87 79.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -60.58 -37.47 81.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -74.23 -39.64 62.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.48 75.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.648 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -54.04 -44.71 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.758 HD13 ' CG1' ' B' ' 26' ' ' VAL . 16.2 mt -67.91 -49.22 70.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.549 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -53.01 -38.98 62.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.4 mt -61.13 -42.96 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -65.59 -42.15 92.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.751 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.9 t -64.9 -40.33 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.1 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.549 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.2 m-85 -69.12 -41.52 77.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.66 92.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -18.6 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 26' ' ' VAL . 2.3 mt -91.67 1.08 57.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 8.57 73.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.62 ' CG ' HD23 ' A' ' 50' ' ' LEU . 28.4 m-85 -94.46 33.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.84 161.09 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t70 68.52 61.55 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.478 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -89.82 149.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -122.99 125.11 44.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -100.82 135.54 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -130.51 120.72 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.469 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 111.137 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.654 HG11 ' HB1' ' A' ' 16' ' ' ALA . 2.9 p -106.22 133.3 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.4 m -131.71 127.64 37.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.67 137.73 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.17 127.97 45.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.73 171.03 19.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.02 147.59 48.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.62 HD23 ' CG ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.8 t -107.99 125.19 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -130.33 121.76 26.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.665 HG23 HG22 ' A' ' 8' ' ' ILE . 66.1 mt -119.75 125.4 74.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.28 125.67 54.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.669 HG22 HG23 ' A' ' 6' ' ' ILE . 10.2 pt -110.92 135.43 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.44 95.63 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.66 168.86 8.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.631 ' HG3' HG22 ' B' ' 12' ' ' THR . 15.4 ptm180 -72.3 -38.45 68.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.631 HG22 ' HG3' ' B' ' 11' ' ' ARG . 2.1 t -133.97 158.71 42.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -39.61 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -38.49 77.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.482 ' H ' HG23 ' B' ' 12' ' ' THR . 3.3 mm-40 -67.0 -51.94 48.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.544 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -60.39 -40.47 91.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.98 -39.91 79.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -60.63 -32.67 71.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -79.5 -39.12 32.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.55 -42.33 74.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -53.83 -44.77 70.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.751 HD13 ' CG1' ' A' ' 26' ' ' VAL . 14.7 mt -68.1 -49.25 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.533 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.0 OUTLIER -52.71 -39.36 61.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.2 mt -60.66 -42.66 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -65.91 -42.13 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' A' ' 22' ' ' ILE . 15.8 t -64.13 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' B' ' 23' ' ' LEU . 7.2 m-85 -69.95 -42.31 73.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.31 93.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -18.7 64.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.586 HD12 ' O ' ' B' ' 26' ' ' VAL . 5.9 mt -91.52 -2.06 57.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 13.25 65.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.635 ' CG ' HD23 ' B' ' 50' ' ' LEU . 17.2 m-85 -94.18 35.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -50.13 161.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 t70 71.02 60.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.402 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -92.81 148.8 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -128.07 127.61 43.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 p -102.39 136.98 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.657 HG23 HG12 ' B' ' 8' ' ' ILE . 11.4 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.9 0.381 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 13.6 m -130.0 125.57 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -90.51 137.6 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.62 127.79 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.92 162.43 23.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -131.37 139.41 49.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.635 HD23 ' CG ' ' B' ' 32' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.671 HG11 ' CE2' ' B' ' 19' ' ' PHE . 39.2 t -132.06 122.46 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -130.15 128.15 41.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.611 HD12 HD11 ' A' ' 23' ' ' LEU . 22.9 mt -122.37 125.53 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.63 125.14 52.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.722 HG22 HG23 ' B' ' 6' ' ' ILE . 8.7 pt -111.11 135.46 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.09 96.87 5.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.23 164.79 11.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -69.63 -49.19 56.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.479 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.3 t -115.94 153.42 31.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -57.08 -38.6 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -59.11 -37.35 76.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' H ' HG23 ' A' ' 12' ' ' THR . 31.5 mm-40 -66.48 -50.66 62.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -60.14 -40.62 90.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.96 -39.93 87.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -61.59 -45.15 95.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.626 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 17.9 m-85 -64.93 -43.01 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -42.41 74.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.664 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -54.51 -45.91 73.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.753 HD13 ' CG1' ' B' ' 26' ' ' VAL . 14.0 mt -66.28 -49.27 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.738 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -51.82 -42.37 62.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.2 mt -58.1 -45.21 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -63.58 -39.3 94.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.743 ' CG1' HD13 ' B' ' 22' ' ' ILE . 6.7 t -68.35 -40.56 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.738 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.4 m-85 -66.69 -42.4 86.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.89 88.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -18.79 63.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 mt -88.85 -11.22 45.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.69 10.57 52.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.506 ' OH ' HD12 ' A' ' 50' ' ' LEU . 21.8 m-85 -94.34 36.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.945 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.15 161.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 t70 69.24 60.8 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.461 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -90.03 149.12 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -127.41 121.62 31.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -101.4 136.82 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.3 p -131.6 118.14 19.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.627 HG13 HG12 ' A' ' 8' ' ' ILE . 3.1 p -109.91 132.54 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 m -129.31 127.09 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -91.64 139.21 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -124.59 116.84 23.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.02 154.53 20.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.43 161.86 26.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.506 HD12 ' OH ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.855 0.359 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.626 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 61.4 t -131.98 125.6 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -130.2 125.99 36.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.722 HG23 HG22 ' A' ' 8' ' ' ILE . 59.6 mt -125.17 125.96 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.4 135.3 54.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.588 HG23 HG12 ' A' ' 6' ' ' ILE . 26.6 mt -110.55 135.34 49.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -101.47 71.52 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.16 158.37 16.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -68.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.546 HG23 ' H ' ' B' ' 15' ' ' GLU . 4.4 t -84.82 154.85 22.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -37.63 84.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -36.8 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.546 ' H ' HG23 ' B' ' 12' ' ' THR . 17.5 mm-40 -62.93 -52.23 63.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.721 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -66.77 -40.47 88.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -40.11 79.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -60.4 -40.61 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.671 ' CE2' HG11 ' A' ' 4' ' ' VAL . 58.7 m-85 -73.68 -41.66 62.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.85 -44.43 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.709 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.31 -47.97 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.743 HD13 ' CG1' ' A' ' 26' ' ' VAL . 5.7 mt -68.23 -47.12 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.698 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.4 mm? -51.87 -38.61 56.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' B' ' 21' ' ' ALA . 9.0 mt -61.23 -43.69 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -65.28 -42.13 93.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.753 ' CG1' HD13 ' A' ' 22' ' ' ILE . 14.3 t -64.83 -40.22 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.698 ' CE2' HD12 ' B' ' 23' ' ' LEU . 12.7 m-85 -68.27 -42.48 79.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.71 91.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.059 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.05 -18.49 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 42.9 mt -91.75 -1.75 57.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.1 70.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.635 ' CD1' HD23 ' B' ' 50' ' ' LEU . 18.7 m-85 -93.89 36.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -49.66 160.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 t70 67.55 69.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.462 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -96.22 148.66 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -124.48 118.99 27.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.4 p -104.75 137.04 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 23.5 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.721 HG21 ' HB1' ' B' ' 16' ' ' ALA . 33.0 m . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.888 0.375 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.9 m -128.44 119.63 25.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -95.48 136.6 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -120.9 125.75 48.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.7 150.38 18.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.42 149.57 42.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.635 HD23 ' CD1' ' B' ' 32' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.8 0.333 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.595 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 48.7 t -130.93 124.55 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -130.09 128.58 42.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.676 HG23 HG22 ' B' ' 8' ' ' ILE . 68.0 mt -124.93 125.1 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.25 128.0 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.63 HG12 HG13 ' A' ' 44' ' ' VAL . 9.2 pt -111.13 135.39 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 94.81 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.16 169.04 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -79.62 -35.76 38.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -127.97 158.02 39.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -34.04 77.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -42.01 84.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.07 -48.44 68.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.547 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.59 -41.51 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -39.92 82.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -64.15 -35.21 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.785 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 42.0 m-85 -72.12 -45.43 60.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.61 77.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.624 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.19 -46.83 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.757 HD13 ' CG1' ' B' ' 26' ' ' VAL . 14.6 mt -67.71 -49.24 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.549 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.3 mm? -52.9 -40.42 63.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.4 mt -59.52 -42.88 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -65.88 -42.14 90.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.744 ' CG1' HD13 ' B' ' 22' ' ' ILE . 17.5 t -64.74 -40.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.549 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.8 m-85 -68.55 -42.4 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.94 -45.61 88.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -18.62 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.423 ' CD1' HG12 ' A' ' 26' ' ' VAL . 23.4 mt -90.92 -3.03 57.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.83 13.35 64.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 15.2 m-85 -94.64 35.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -49.73 161.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 71.04 58.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.473 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -90.85 148.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -126.0 124.16 40.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.5 p -102.81 137.0 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -133.75 124.33 26.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.832 0.349 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.63 HG13 HG12 ' A' ' 8' ' ' ILE . 3.5 p -101.8 132.72 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.0 m -131.21 130.28 42.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.5 p -94.77 138.72 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -125.88 119.48 27.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.03 166.47 21.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -145.68 141.21 27.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.591 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.843 0.354 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.785 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 45.7 t -128.59 126.59 65.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -130.38 126.32 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.612 HG23 HG22 ' A' ' 8' ' ' ILE . 68.4 mt -121.62 125.53 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.71 123.66 49.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.676 HG22 HG23 ' A' ' 6' ' ' ILE . 10.0 pt -110.84 135.44 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.97 106.36 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.616 ' HB1' ' HB3' ' B' ' 15' ' ' GLU . . . -109.97 168.94 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.507 ' HG3' HG22 ' B' ' 12' ' ' THR . 8.7 ptm180 -81.82 -40.2 22.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.52 HG23 ' H ' ' B' ' 15' ' ' GLU . 1.6 t -124.56 157.97 34.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -55.95 -36.48 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -36.56 84.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.616 ' HB3' ' HB1' ' B' ' 10' ' ' ALA . 29.6 mm-40 -63.43 -35.22 79.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.992 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -68.35 -38.25 81.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -70.07 -36.68 75.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -59.55 -31.89 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.595 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 20.0 m-85 -90.41 -41.14 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.26 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -54.19 -41.99 69.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.744 HD13 ' CG1' ' A' ' 26' ' ' VAL . 22.5 mt -69.59 -49.13 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -53.77 -39.27 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.1 mt -61.29 -42.69 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -66.0 -42.03 90.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.757 ' CG1' HD13 ' A' ' 22' ' ' ILE . 16.5 t -64.34 -41.08 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.0 m-85 -67.36 -41.07 85.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.5 93.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.22 -18.78 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 29.3 mt -91.3 -1.54 57.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.67 11.72 67.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.612 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 15.9 m-85 -94.61 34.4 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.379 . . . . 0.0 110.921 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -50.24 161.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 71.06 57.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.449 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -88.9 145.43 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -125.11 124.83 42.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.63 136.08 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.8 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.992 HG21 ' HB1' ' B' ' 16' ' ' ALA . 3.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.843 0.354 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.0 m -129.01 126.95 40.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.3 139.11 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -124.21 121.88 36.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.75 166.86 21.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -146.96 141.18 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.612 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.803 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 60.0 t -132.06 125.31 54.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -130.11 124.22 32.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.661 HG23 HG22 ' B' ' 8' ' ' ILE . 70.5 mt -121.81 125.39 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.91 126.11 54.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.691 HG22 HG23 ' B' ' 6' ' ' ILE . 10.4 pt -110.85 135.39 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.719 HG23 HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -117.41 93.23 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.88 169.04 9.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -70.57 -53.81 14.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 15' ' ' GLU . 1.9 t -108.98 158.62 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -63.92 -40.45 96.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.82 -33.56 68.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' H ' HG23 ' A' ' 12' ' ' THR . 12.3 mm-40 -67.11 -52.06 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -60.1 -40.33 89.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -39.93 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -62.7 -32.47 73.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.768 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 28.4 m-85 -76.07 -43.9 41.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.22 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.45 -45.35 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.761 HD13 ' CG1' ' B' ' 26' ' ' VAL . 22.2 mt -69.75 -49.19 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.3 mm? -52.61 -41.15 63.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.1 mt -58.92 -42.9 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -66.04 -42.24 89.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' B' ' 22' ' ' ILE . 19.4 t -64.41 -40.63 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.557 ' CE2' HD12 ' A' ' 23' ' ' LEU . 8.7 m-85 -67.38 -42.39 83.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.54 87.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -18.64 64.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.482 ' CD1' HG12 ' A' ' 26' ' ' VAL . 21.9 mt -90.89 -3.21 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.85 13.26 64.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.567 ' CE1' HD13 ' A' ' 50' ' ' LEU . 13.4 m-85 -94.35 35.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.933 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -49.42 161.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t0 70.67 58.92 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -89.56 149.03 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -128.35 121.83 30.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.07 136.31 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 p -130.92 114.03 14.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.644 ' HB3' HG12 ' A' ' 44' ' ' VAL . 61.0 p-90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.719 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.853 0.359 . . . . 0.0 111.114 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.671 HG23 HG12 ' A' ' 8' ' ' ILE . 4.5 m -111.5 134.14 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.4 m -129.48 123.8 32.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.59 137.95 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -124.97 117.79 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.35 150.77 19.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.2 156.24 38.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.368 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.567 HD13 ' CE1' ' A' ' 32' ' ' TYR . 22.7 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.768 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 48.0 t -125.14 125.32 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -130.28 118.88 21.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.691 HG23 HG22 ' A' ' 8' ' ' ILE . 61.1 mt -117.6 125.37 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.59 118.23 36.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.661 HG22 HG23 ' A' ' 6' ' ' ILE . 14.7 pt -110.32 135.26 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.3 124.98 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' B' ' 15' ' ' GLU . . . -133.04 169.25 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -72.95 -68.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -105.3 168.4 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -58.83 -39.64 81.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -38.82 81.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.604 ' HB3' ' HB1' ' B' ' 10' ' ' ALA . 11.0 mm-40 -65.88 -52.2 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.956 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -62.66 -42.42 99.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.94 -39.62 78.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -59.67 -38.99 82.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.803 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 23.9 m-85 -73.66 -45.89 49.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.05 74.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -54.59 -43.87 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' A' ' 26' ' ' VAL . 20.8 mt -68.42 -48.85 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.719 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -53.2 -39.0 63.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.867 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.3 mt -61.23 -42.67 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -66.01 -42.17 90.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.761 ' CG1' HD13 ' A' ' 22' ' ' ILE . 17.0 t -64.44 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.719 ' CE2' HD12 ' B' ' 23' ' ' LEU . 9.7 m-85 -67.69 -41.69 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.15 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -18.62 64.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -92.56 -1.77 56.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 12.27 66.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.633 ' CG ' HD23 ' B' ' 50' ' ' LEU . 18.7 m-85 -94.1 35.84 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.379 . . . . 0.0 110.914 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -50.17 160.51 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 9.3 t70 67.7 68.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -95.47 148.29 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -123.74 122.67 38.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -104.26 136.15 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.956 HG21 ' HB1' ' B' ' 16' ' ' ALA . 63.7 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.917 0.389 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m -141.51 126.29 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -105.57 137.68 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -125.13 128.51 48.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.92 170.96 19.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.59 145.96 37.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 0.0 110.975 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.633 HD23 ' CG ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.789 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 41.4 t -126.74 124.86 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -130.26 130.53 44.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.585 HG23 HG22 ' B' ' 8' ' ' ILE . 68.7 mt -125.17 125.5 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.51 125.31 53.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.702 HG22 HG23 ' B' ' 6' ' ' ILE . 9.9 pt -110.84 135.38 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.88 102.39 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -112.24 168.96 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -69.55 -54.46 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 15' ' ' GLU . 10.0 t -118.33 165.19 14.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -43.32 94.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -34.59 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.596 ' H ' HG23 ' A' ' 12' ' ' THR . 20.4 mm-40 -66.51 -52.16 48.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.658 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -64.11 -39.14 93.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -39.87 79.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -59.81 -32.46 70.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -80.83 -39.2 26.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.31 76.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -53.05 -45.34 68.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.758 HD13 ' CG1' ' B' ' 26' ' ' VAL . 17.7 mt -67.71 -49.27 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -52.67 -40.08 62.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.6 mt -60.09 -43.73 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -64.89 -42.16 95.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.753 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.4 t -65.09 -40.29 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.0 m-85 -68.87 -42.51 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.21 -45.59 92.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -18.52 63.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.7 mt -91.75 2.52 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.85 6.83 75.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.631 ' CE1' HD13 ' A' ' 50' ' ' LEU . 19.2 m-85 -94.8 31.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -48.73 161.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 t0 68.3 64.11 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -92.07 149.13 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -122.42 124.82 44.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.26 135.29 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 p -130.77 114.11 14.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.637 ' HB3' HG12 ' A' ' 44' ' ' VAL . 65.7 p-90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.822 0.344 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.658 HG21 ' HB1' ' A' ' 16' ' ' ALA . 4.6 m -111.44 132.03 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.9 m -129.99 126.77 38.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -91.22 138.5 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -126.65 122.34 34.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.86 168.21 20.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.34 156.55 48.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.631 HD13 ' CE1' ' A' ' 32' ' ' TYR . 15.2 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 88.5 t -130.96 130.42 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 -130.26 122.74 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.702 HG23 HG22 ' A' ' 8' ' ' ILE . 68.1 mt -125.37 125.13 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 2.7 t -114.92 130.7 56.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.672 HG12 HG23 ' B' ' 44' ' ' VAL . 8.6 pt -112.12 135.36 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.04 95.07 5.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.18 169.01 8.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -76.6 -57.74 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.462 HG23 ' H ' ' B' ' 15' ' ' GLU . 2.5 t -108.52 159.21 16.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -37.72 86.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -38.04 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.462 ' H ' HG23 ' B' ' 12' ' ' THR . 3.4 mm-40 -67.06 -52.11 46.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.687 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -59.99 -39.71 86.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -57.86 -39.94 78.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -62.74 -34.98 78.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.789 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 38.6 m-85 -73.07 -44.61 60.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.71 76.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.661 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.74 -46.13 63.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.753 HD13 ' CG1' ' A' ' 26' ' ' VAL . 12.6 mt -67.99 -49.09 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.631 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.8 OUTLIER -52.47 -39.65 61.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.661 HD12 ' HA ' ' B' ' 21' ' ' ALA . 10.8 mt -60.39 -43.14 93.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -65.51 -42.16 92.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' A' ' 22' ' ' ILE . 16.5 t -64.76 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.631 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.4 m-85 -68.4 -42.39 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.63 91.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -18.66 64.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 34.1 mt -90.99 -1.53 57.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.76 12.22 66.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.448 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.647 ' CE1' HD13 ' B' ' 50' ' ' LEU . 13.9 m-85 -94.22 35.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.907 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -49.39 161.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t70 69.3 62.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.432 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -91.4 149.07 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -129.21 122.94 30.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.8 p -99.33 135.92 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.687 HG21 ' HB1' ' B' ' 16' ' ' ALA . 15.5 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.9 0.381 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 4.6 m -122.13 150.94 41.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.0 136.55 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -120.2 116.74 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLY . . . . . 0.426 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.95 140.82 12.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -120.3 156.28 31.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.647 HD13 ' CE1' ' B' ' 32' ' ' TYR . 1.1 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.69 HG11 ' CE2' ' B' ' 19' ' ' PHE . 46.3 t -132.24 123.18 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.599 ' NE ' HG21 ' A' ' 45' ' ' THR . 0.1 OUTLIER -130.3 119.85 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.602 HD12 HD11 ' A' ' 23' ' ' LEU . 28.4 mt -114.59 125.82 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.89 127.87 55.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.653 HG22 HG23 ' B' ' 6' ' ' ILE . 7.8 pt -115.04 135.17 55.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.448 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -115.18 95.22 5.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.42 169.12 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -76.18 -50.75 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 15' ' ' GLU . 1.8 t -109.39 158.54 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.77 -34.3 77.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -41.53 82.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.425 ' H ' HG23 ' A' ' 12' ' ' THR . 0.2 OUTLIER -62.93 -34.65 77.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.76 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -68.37 -38.07 81.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -68.38 -37.0 80.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -62.36 -40.66 97.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.757 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 42.4 m-85 -73.84 -45.39 51.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.36 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.499 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.52 -47.88 63.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.751 HD13 ' CG1' ' B' ' 26' ' ' VAL . 12.7 mt -67.85 -49.3 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.602 HD11 HD12 ' A' ' 6' ' ' ILE . 1.2 mm? -53.21 -41.49 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 21' ' ' ALA . 13.8 mt -58.78 -44.27 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -64.32 -42.05 96.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.743 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.8 t -65.31 -40.38 88.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.579 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.5 m-85 -67.7 -42.61 81.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.75 90.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -18.67 64.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 26' ' ' VAL . 23.0 mt -90.81 -2.8 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 12.39 65.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.597 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 15.3 m-85 -94.83 35.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 110.95 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -50.11 161.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t70 70.86 58.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.473 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -88.51 148.93 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -126.59 123.29 37.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -101.24 135.82 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.1 p -131.25 127.7 38.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.448 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.76 HG21 ' HB1' ' A' ' 16' ' ' ALA . 12.2 m -101.63 133.41 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.599 HG21 ' NE ' ' A' ' 5' ' ' ARG . 24.6 m -131.12 123.06 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -88.95 138.15 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -125.67 118.94 26.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.03 156.43 21.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.64 142.65 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.597 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.757 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 39.7 t -130.8 129.66 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -130.66 126.17 35.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.653 HG23 HG22 ' A' ' 8' ' ' ILE . 55.7 mt -124.41 125.54 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 9.7 t -113.71 135.92 53.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.583 HG23 HG12 ' A' ' 6' ' ' ILE . 22.7 mt -110.9 135.0 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.22 74.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.03 144.53 29.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -79.47 -32.43 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.65 144.76 44.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -59.53 -30.91 68.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.941 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -41.66 89.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -42.56 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.488 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -68.05 -37.54 81.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -69.48 -37.08 77.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -68.13 -36.02 79.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.69 ' CE2' HG11 ' A' ' 4' ' ' VAL . 16.4 m-85 -77.52 -41.6 38.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.66 -42.97 75.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -54.39 -44.79 72.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.743 HD13 ' CG1' ' A' ' 26' ' ' VAL . 11.6 mt -67.26 -49.09 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.578 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.0 OUTLIER -53.19 -39.52 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.2 mt -60.96 -43.96 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.165 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.58 -42.24 95.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.751 ' CG1' HD13 ' A' ' 22' ' ' ILE . 13.8 t -65.12 -40.08 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.578 ' CE2' HD12 ' B' ' 23' ' ' LEU . 5.6 m-85 -70.47 -40.8 73.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.41 94.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -18.43 64.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 33.1 mt -92.54 -2.5 56.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.7 13.82 64.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.693 ' CE1' HD13 ' B' ' 50' ' ' LEU . 11.9 m-85 -93.63 34.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -50.16 161.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 t0 70.87 60.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.436 HD11 ' HA3' ' B' ' 48' ' ' GLY . 0.6 OUTLIER -91.72 144.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -121.18 123.62 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.06 136.57 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.166 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.488 HG11 ' HB1' ' B' ' 16' ' ' ALA . 11.9 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.946 0.403 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -121.0 119.87 33.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' VAL . . . . . 0.416 HG12 ' HB ' ' B' ' 6' ' ' ILE . 9.5 p -95.76 137.56 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -120.67 115.16 22.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLY . . . . . 0.436 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -129.0 140.95 12.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.472 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.48 146.6 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.693 HD13 ' CE1' ' B' ' 32' ' ' TYR . 20.0 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.92 0.39 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.15 128.06 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -130.13 127.71 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.695 HG23 HG22 ' B' ' 8' ' ' ILE . 58.8 mt -125.46 129.74 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.18 135.72 53.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.584 HG23 HG12 ' B' ' 6' ' ' ILE . 26.6 mt -110.48 135.56 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -102.23 73.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.83 167.5 10.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -67.89 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 15' ' ' GLU . 8.7 t -97.82 164.36 12.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -66.14 -29.19 69.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -43.51 92.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' H ' HG23 ' A' ' 12' ' ' THR . 0.2 OUTLIER -65.32 -52.15 55.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.758 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -60.19 -38.82 84.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.056 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.0 -40.53 95.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -59.93 -33.75 72.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -81.42 -39.45 24.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.34 -45.25 80.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.71 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.46 -48.31 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.755 HD13 ' CG1' ' B' ' 26' ' ' VAL . 7.3 mt -66.7 -47.97 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD11 HD12 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -51.88 -40.44 60.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 21' ' ' ALA . 9.6 mt -59.48 -44.69 93.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -64.45 -42.13 96.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.754 ' CG1' HD13 ' B' ' 22' ' ' ILE . 14.3 t -65.32 -39.9 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.536 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.1 m-85 -70.22 -42.64 72.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.73 96.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -18.22 64.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 26' ' ' VAL . 4.6 mt -94.03 3.05 55.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 7.1 75.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.618 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 22.2 m-85 -94.58 27.51 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -47.05 160.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 t0 68.71 61.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.517 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -90.36 149.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -120.14 122.65 41.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -101.46 137.11 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.9 p -135.64 113.69 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.858 0.361 . . . . 0.0 111.094 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.758 HG11 ' HB1' ' A' ' 16' ' ' ALA . 8.1 p -92.71 136.53 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.0 m -129.7 136.35 49.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -112.08 134.82 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -122.59 123.14 40.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.68 165.11 21.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -137.69 147.28 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.618 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.853 0.358 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 48.0 t -107.93 122.45 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.12 121.07 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.616 HD12 HD11 ' B' ' 23' ' ' LEU . 33.2 mt -117.29 125.65 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.9 125.37 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.695 HG22 HG23 ' A' ' 6' ' ' ILE . 8.1 pt -112.77 135.4 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.67 96.47 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.178 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.03 169.09 8.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.562 ' HG3' HG22 ' B' ' 12' ' ' THR . 37.0 ptt180 -70.96 -41.86 70.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.562 HG22 ' HG3' ' B' ' 11' ' ' ARG . 3.4 t -130.69 160.22 34.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -60.31 -39.68 87.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -57.91 -38.2 75.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLU . . . . . 0.541 ' H ' HG23 ' B' ' 12' ' ' THR . 1.5 mm-40 -66.99 -52.14 46.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.683 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -59.58 -40.1 86.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -39.85 78.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -62.4 -32.25 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -77.96 -40.07 40.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.73 -44.34 77.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.666 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.62 -45.96 63.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.754 HD13 ' CG1' ' A' ' 26' ' ' VAL . 14.4 mt -67.56 -49.21 72.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.616 HD11 HD12 ' B' ' 6' ' ' ILE . 0.6 OUTLIER -53.37 -39.38 64.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' B' ' 21' ' ' ALA . 11.1 mt -60.97 -42.75 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.05 -42.22 89.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.755 ' CG1' HD13 ' A' ' 22' ' ' ILE . 15.5 t -64.64 -40.94 90.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.589 ' CE2' HD12 ' B' ' 23' ' ' LEU . 4.5 m-85 -68.9 -41.78 77.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.02 96.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.99 -18.55 64.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.3 mt -92.77 2.26 56.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 7.86 74.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.611 ' CG ' HD23 ' B' ' 50' ' ' LEU . 25.1 m-85 -94.6 30.6 1.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -50.76 161.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 69.99 54.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.502 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -83.72 149.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -123.49 126.47 46.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -100.52 135.26 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.683 HG11 ' HB1' ' B' ' 16' ' ' ALA . 2.9 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.937 0.399 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -130.79 125.03 32.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -89.47 138.1 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.77 129.51 45.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.89 170.94 19.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -136.64 141.19 43.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.611 HD23 ' CG ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.652 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 50.1 t -129.35 124.77 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.4 128.59 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.63 HD12 HD11 ' A' ' 23' ' ' LEU . 24.3 mt -125.21 132.14 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.7 t -115.13 129.75 56.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.694 HG22 HG23 ' B' ' 6' ' ' ILE . 7.5 pt -115.28 135.39 55.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.34 101.07 9.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . . . -110.58 169.01 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -68.81 -57.2 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.5 t -116.48 159.19 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -57.49 -37.58 73.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -58.02 -39.79 79.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' H ' HG23 ' A' ' 12' ' ' THR . 0.3 OUTLIER -67.05 -52.04 47.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.544 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -60.41 -39.77 88.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -57.95 -39.84 79.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -61.13 -33.92 74.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 27.5 m-85 -76.56 -42.25 43.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.84 -44.45 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.678 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -52.19 -46.35 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.751 HD13 ' CG1' ' B' ' 26' ' ' VAL . 14.7 mt -66.61 -49.19 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.63 HD11 HD12 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -52.99 -39.39 63.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.4 mt -60.78 -43.01 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -66.03 -42.06 90.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.745 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.0 t -64.87 -40.43 89.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.602 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.7 m-85 -67.9 -40.97 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.99 90.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.067 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -18.61 63.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.0 mt -90.92 -0.19 57.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 7.71 74.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.609 ' CG ' HD23 ' A' ' 50' ' ' LEU . 34.6 m-85 -94.19 35.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.915 0.388 . . . . 0.0 110.936 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -50.95 161.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t0 69.8 63.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.49 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -93.5 145.71 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -123.02 123.98 42.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.2 p -94.88 134.14 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.3 p -132.35 132.32 42.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.4 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.796 0.332 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.656 HG23 HG12 ' A' ' 8' ' ' ILE . 15.6 m -88.86 121.68 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.2 m -121.27 127.74 51.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -90.88 135.7 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -117.88 119.5 35.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.24 147.05 17.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.93 162.07 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.609 HD23 ' CG ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 4' ' ' VAL . . . . . 0.571 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 56.9 t -126.47 126.38 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -130.29 128.78 42.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.694 HG23 HG22 ' A' ' 8' ' ' ILE . 55.9 mt -125.18 125.78 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.87 136.45 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ILE . . . . . 0.573 HG23 HG12 ' A' ' 6' ' ' ILE . 28.8 mt -110.54 135.43 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.37 73.64 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.58 149.32 23.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -77.12 -40.65 44.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.01 146.12 40.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -29.86 70.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -43.24 86.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -52.17 45.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ALA . . . . . 0.701 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -58.48 -39.64 80.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.87 -40.79 85.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -64.91 -38.5 91.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.652 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 56.1 m-85 -70.67 -44.05 67.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.98 -45.41 78.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.078 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.72 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.65 -47.96 63.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.745 HD13 ' CG1' ' A' ' 26' ' ' VAL . 6.7 mt -66.76 -48.32 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -51.45 -39.83 58.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' B' ' 21' ' ' ALA . 9.9 mt -60.07 -44.07 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.76 -42.08 95.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.751 ' CG1' HD13 ' A' ' 22' ' ' ILE . 15.7 t -64.69 -40.4 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' B' ' 23' ' ' LEU . 8.0 m-85 -69.28 -42.7 75.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.56 92.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -18.5 64.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 36.3 mt -90.54 -10.44 43.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.14 11.74 53.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' TYR . . . . . 0.601 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 18.7 m-85 -94.27 36.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.908 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -49.39 161.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t0 70.88 59.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.478 HD11 ' HA3' ' B' ' 48' ' ' GLY . 0.7 OUTLIER -90.79 148.99 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -129.1 122.17 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.66 137.01 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 44' ' ' VAL . . . . . 0.701 HG21 ' HB1' ' B' ' 16' ' ' ALA . 33.3 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 29.1 m -123.76 136.33 54.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -111.72 137.27 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -120.12 116.06 24.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLY . . . . . 0.478 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.66 142.99 14.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.36 149.62 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.601 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.863 0.363 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.67 124.13 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.737 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 52.7 t -112.06 124.8 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.11 130.51 44.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.646 HG23 HG22 ' B' ' 8' ' ' ILE . 68.2 mt -125.03 125.5 69.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.58 124.28 51.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.679 HG22 HG23 ' B' ' 6' ' ' ILE . 9.7 pt -110.87 135.44 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.45 102.43 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -110.66 168.81 9.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -68.98 -54.79 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 15' ' ' GLU . 5.2 t -117.45 161.75 19.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -57.89 -41.35 82.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -35.7 73.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.545 ' H ' HG23 ' A' ' 12' ' ' THR . 0.9 OUTLIER -66.6 -52.17 48.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.723 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -61.85 -41.34 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.93 -39.69 78.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -59.7 -32.15 70.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -81.45 -39.03 25.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.13 76.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.638 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -53.5 -44.18 68.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.737 HD13 ' CG1' ' B' ' 26' ' ' VAL . 20.3 mt -68.31 -49.35 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.559 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -53.27 -39.04 63.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.2 mt -61.2 -42.7 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -65.8 -42.24 90.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' B' ' 22' ' ' ILE . 17.2 t -64.37 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.559 ' CE2' HD12 ' A' ' 23' ' ' LEU . 6.4 m-85 -66.91 -42.45 85.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.94 90.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -18.85 63.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' CD1' HG12 ' A' ' 26' ' ' VAL . 20.4 mt -89.53 -8.03 53.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.26 7.55 58.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.497 ' OH ' HD12 ' A' ' 50' ' ' LEU . 25.1 m-85 -94.29 35.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.949 0.405 . . . . 0.0 110.984 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -49.89 161.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 68.75 62.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -91.07 149.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -125.34 123.51 39.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 p -99.57 135.96 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.8 p -130.71 114.2 15.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.458 ' HB3' HG12 ' A' ' 44' ' ' VAL . 66.5 p-90 -107.78 141.41 39.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -141.82 102.05 4.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.3 -83.9 1.49 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.25 21.09 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.08 131.9 52.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.723 HG21 ' HB1' ' A' ' 16' ' ' ALA . 4.6 m -111.64 130.27 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.3 m -129.67 126.02 37.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -90.78 138.24 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -124.45 121.07 33.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.86 163.36 22.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.33 160.5 34.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.497 HD12 ' OH ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -124.59 139.61 53.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' H ' HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -104.83 39.59 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.51 145.87 5.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.74 -87.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.638 ' C ' HD22 ' A' ' 55' ' ' LEU . 0.9 OUTLIER 63.3 161.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.838 -179.767 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.638 HD22 ' C ' ' A' ' 54' ' ' SER . 4.3 mm? -128.15 26.48 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -67.59 -170.04 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.1 p80 -176.86 167.3 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.75 131.87 37.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 76.4 t -116.67 128.49 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.551 ' NE ' HG21 ' B' ' 45' ' ' THR . 11.1 ttt-85 -130.36 126.52 37.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.679 HG23 HG22 ' A' ' 8' ' ' ILE . 67.9 mt -124.98 125.49 69.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.36 125.65 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.664 HG12 HG23 ' B' ' 44' ' ' VAL . 10.4 pt -110.8 135.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.77 95.31 5.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' B' ' 15' ' ' GLU . . . -104.96 168.77 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.083 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -57.14 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.503 HG23 ' H ' ' B' ' 15' ' ' GLU . 10.6 t -119.75 167.71 11.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -40.6 88.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -37.88 75.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.56 ' HB3' ' HB1' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -66.73 -52.0 49.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.586 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -62.04 -38.36 88.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -39.88 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -60.95 -34.04 74.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.737 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 35.3 m-85 -76.79 -42.03 42.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.75 -44.15 77.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.783 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.32 -47.7 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' A' ' 26' ' ' VAL . 12.1 mt -66.42 -49.1 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.554 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.0 OUTLIER -52.78 -38.62 61.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.7 mt -58.2 -46.6 88.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -64.34 -47.55 78.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.737 ' CG1' HD13 ' A' ' 22' ' ' ILE . 20.2 t -57.11 -40.32 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.554 ' CE2' HD12 ' B' ' 23' ' ' LEU . 5.3 m-85 -71.89 -42.53 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.32 93.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -18.45 64.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 34.4 mt -91.65 -0.92 57.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.16 11.43 67.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.601 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 18.2 m-85 -94.81 34.68 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.911 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -50.72 161.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.6 58.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.461 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -88.22 148.84 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -125.92 124.25 40.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.86 135.43 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 19.6 p -132.35 114.11 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' TRP . . . . . 0.779 ' HB3' HG12 ' B' ' 44' ' ' VAL . 69.2 p-90 -107.6 142.94 36.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -142.0 100.02 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.79 -83.04 1.3 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.14 18.47 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.22 132.05 51.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.779 HG12 ' HB3' ' B' ' 39' ' ' TRP . 4.4 m -111.9 132.72 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' THR . . . . . 0.551 HG21 ' NE ' ' B' ' 5' ' ' ARG . 22.9 m -128.27 125.31 38.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -91.25 138.74 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -125.44 119.86 29.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.98 157.99 21.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.31 141.05 45.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.601 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER -106.16 139.23 41.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.412 ' H ' HD23 ' B' ' 50' ' ' LEU . 0.0 OUTLIER -103.25 36.91 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.47 77.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.06 109.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.524 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.3 m -144.85 157.96 43.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.83 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -109.13 65.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -55.18 147.64 15.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -179.3 132.59 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.407 ' N ' HH21 ' B' ' 11' ' ' ARG . 2.2 pt-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -92.75 136.9 32.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.494 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 61.4 t -132.1 126.53 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -130.23 129.79 43.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.695 HG23 HG22 ' B' ' 8' ' ' ILE . 66.6 mt -125.09 125.39 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.2 125.83 54.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.682 HG12 HG23 ' A' ' 44' ' ' VAL . 10.4 pt -110.86 135.42 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.43 94.96 5.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.42 169.09 8.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.05 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -68.89 -56.4 8.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.451 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.6 t -113.3 159.31 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -59.07 -40.91 86.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -57.92 -34.87 70.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.451 ' H ' HG23 ' A' ' 12' ' ' THR . 14.6 mt-10 -67.04 -52.04 47.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.634 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -60.82 -41.65 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.98 -39.83 79.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -59.95 -32.55 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -80.46 -38.66 29.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.55 73.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -54.38 -44.56 72.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.748 HD13 ' CG1' ' B' ' 26' ' ' VAL . 17.8 mt -68.37 -49.12 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.1 mm? -52.38 -40.3 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.3 mt -59.73 -43.46 91.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -65.09 -42.15 94.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.757 ' CG1' HD13 ' B' ' 22' ' ' ILE . 18.4 t -64.52 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.7 m-85 -68.42 -42.5 78.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.84 90.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -18.66 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.1 mt -90.72 -1.76 57.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.95 11.3 67.94 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.787 ' CE1' HD13 ' A' ' 50' ' ' LEU . 17.0 m-85 -94.84 35.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -50.27 161.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 71.02 58.83 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.494 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -90.1 149.05 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.91 125.26 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -100.36 136.23 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 p -131.7 114.27 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.56 ' HB3' HG12 ' A' ' 44' ' ' VAL . 67.0 p-90 -107.04 143.47 35.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.94 99.96 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.23 -84.68 1.42 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -147.06 19.93 1.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.11 132.08 51.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.682 HG23 HG12 ' A' ' 8' ' ' ILE . 4.2 m -111.64 132.2 60.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.2 m -130.02 125.03 34.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -90.37 138.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -124.61 120.31 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.54 161.96 23.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.432 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -139.72 140.63 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.787 HD13 ' CE1' ' A' ' 32' ' ' TYR . 15.4 tp -90.48 148.81 22.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -122.37 -39.69 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.36 -82.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.62 129.88 1.89 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.448 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -156.5 149.06 23.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.19 -58.18 2.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -128.77 147.61 50.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.32 112.22 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.836 0.351 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.85 140.27 29.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 49.9 t -123.73 124.38 69.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.11 130.45 44.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.653 HG23 HG22 ' A' ' 8' ' ' ILE . 72.4 mt -125.24 125.89 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.76 124.83 51.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.695 HG22 HG23 ' A' ' 6' ' ' ILE . 9.4 pt -110.79 135.26 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.432 HG23 HG23 ' B' ' 43' ' ' THR . 0.2 OUTLIER -109.34 94.87 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.592 ' HB1' ' HB3' ' B' ' 15' ' ' GLU . . . -104.7 169.25 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.407 HH21 ' N ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -72.94 -65.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.445 HG23 ' H ' ' B' ' 15' ' ' GLU . 10.9 t -99.36 179.76 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -74.1 -37.34 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -61.02 -33.04 72.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.592 ' HB3' ' HB1' ' B' ' 10' ' ' ALA . 1.1 mm-40 -64.89 -52.12 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.641 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -62.01 -40.92 97.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -64.11 -39.66 94.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -59.7 -46.14 89.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.494 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 18.8 m-85 -69.81 -38.21 76.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.94 76.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.674 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.56 -45.9 63.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.757 HD13 ' CG1' ' A' ' 26' ' ' VAL . 19.0 mt -68.03 -49.19 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.553 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -52.81 -39.42 62.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' B' ' 21' ' ' ALA . 11.1 mt -60.46 -42.84 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -66.12 -42.1 89.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.748 ' CG1' HD13 ' A' ' 22' ' ' ILE . 16.0 t -65.02 -40.16 88.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.573 ' HB3' HD13 ' B' ' 35' ' ' ILE . 4.0 m-85 -69.92 -42.34 73.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.63 92.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -18.47 63.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.642 HD12 ' O ' ' B' ' 26' ' ' VAL . 2.1 mt -91.92 3.67 54.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.88 4.62 78.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.504 ' OH ' HD12 ' B' ' 50' ' ' LEU . 29.3 m-85 -94.6 30.73 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -50.65 161.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t70 70.09 56.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.573 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -87.29 149.17 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -123.82 126.17 45.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -95.37 134.59 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 72.6 p -129.27 113.88 15.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -96.12 126.57 41.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -125.65 99.92 6.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.12 -90.11 1.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.15 12.49 2.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.432 HG23 HG23 ' B' ' 9' ' ' THR . 0.2 OUTLIER -126.37 132.06 51.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.641 HG21 ' HB1' ' B' ' 16' ' ' ALA . 15.9 m -99.44 136.32 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 10.9 m -128.88 125.23 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -88.52 137.2 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.77 126.21 41.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.78 170.93 19.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -137.27 141.45 41.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.343 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.504 HD12 ' OH ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER -107.96 138.52 44.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -103.81 35.85 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.44 105.12 2.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.47 156.17 27.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.472 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.13 141.9 15.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.865 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.83 -57.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -169.31 -169.94 1.02 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -175.01 144.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.815 0.34 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -110.24 147.0 34.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.74 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 30.2 t -130.82 121.85 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -130.11 124.75 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.607 HG23 HG22 ' B' ' 8' ' ' ILE . 67.2 mt -121.83 125.14 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.443 ' CB ' HG23 ' A' ' 45' ' ' THR . 0.7 OUTLIER -114.02 129.63 56.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.658 HG22 HG23 ' B' ' 6' ' ' ILE . 8.6 pt -113.63 135.31 53.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.428 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -115.77 94.8 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.62 169.08 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -32.32 57.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -132.42 157.8 43.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -65.06 -32.23 73.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -43.15 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.05 -42.41 84.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.555 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -63.54 -43.57 96.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -39.94 79.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -63.84 -34.34 77.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.782 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 42.3 m-85 -74.3 -45.79 45.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -45.12 77.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.24 -46.87 62.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.736 HD13 ' CG1' ' B' ' 26' ' ' VAL . 14.4 mt -67.49 -49.22 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.5 mm? -53.66 -39.5 65.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.1 mt -60.8 -42.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -66.06 -42.1 89.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' B' ' 22' ' ' ILE . 16.7 t -64.69 -40.35 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' HD12 ' A' ' 23' ' ' LEU . 8.0 m-85 -69.52 -42.42 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.61 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.02 -18.51 64.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.1 mt -91.21 -2.27 57.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.7 13.11 65.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.667 ' CG ' HD23 ' A' ' 50' ' ' LEU . 12.5 m-85 -93.9 34.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 110.93 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -50.13 161.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t0 70.23 57.8 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -89.05 149.0 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -123.49 122.98 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -104.26 136.97 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.3 p -132.89 128.88 37.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 -105.85 122.23 45.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -142.07 122.04 13.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.3 46.82 75.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.47 21.3 9.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.428 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -126.05 126.88 44.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.61 HG13 HG12 ' A' ' 8' ' ' ILE . 3.9 p -99.56 134.1 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.443 HG23 ' CB ' ' A' ' 7' ' ' SER . 7.1 m -132.47 128.0 36.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -93.26 138.0 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -127.48 126.04 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.94 167.31 21.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -138.7 141.01 38.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD23 ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -129.48 121.53 27.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -115.74 -28.42 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.16 -58.64 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.32 -155.3 6.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -153.9 136.18 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.857 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -88.77 75.84 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -87.88 -19.43 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.08 123.5 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.85 146.96 27.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.782 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 39.7 t -131.66 127.09 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -130.33 122.74 28.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.658 HG23 HG22 ' A' ' 8' ' ' ILE . 62.7 mt -119.03 125.28 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.21 124.37 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.647 HG12 HG13 ' B' ' 44' ' ' VAL . 9.7 pt -110.83 135.59 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.08 105.33 15.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' B' ' 16' ' ' ALA . . . -111.48 168.97 9.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.565 ' HG3' HG22 ' B' ' 12' ' ' THR . 15.8 ptm180 -83.99 -39.96 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.581 HG23 ' H ' ' B' ' 15' ' ' GLU . 2.6 t -130.77 159.2 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -56.29 -39.13 72.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -38.1 87.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.581 ' H ' HG23 ' B' ' 12' ' ' THR . 2.1 mm-40 -67.1 -52.07 46.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.642 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -60.78 -40.56 93.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -39.8 79.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -59.9 -40.13 87.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.74 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 33.0 m-85 -71.44 -42.85 67.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.69 -44.19 77.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.627 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -53.5 -42.36 67.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' A' ' 26' ' ' VAL . 21.1 mt -69.31 -49.33 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.599 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.8 OUTLIER -54.3 -39.0 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.5 mt -61.93 -42.58 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -65.88 -42.06 90.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.736 ' CG1' HD13 ' A' ' 22' ' ' ILE . 15.4 t -64.49 -41.15 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.599 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.8 m-85 -68.01 -41.93 81.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.4 94.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.94 -18.8 64.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 27.4 mt -91.63 -2.55 57.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.62 14.18 63.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.636 ' CD1' HD23 ' B' ' 50' ' ' LEU . 12.6 m-85 -93.84 34.9 1.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.92 0.39 . . . . 0.0 110.97 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -50.13 162.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 71.55 57.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.87 149.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -131.62 127.81 37.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 14.7 p -100.26 136.89 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.5 p -131.72 114.05 14.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -103.02 143.36 32.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -141.96 100.35 3.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.32 -86.25 1.48 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.54 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.31 18.59 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.18 130.12 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.647 HG13 HG12 ' B' ' 8' ' ' ILE . 3.3 p -105.75 132.07 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.6 m -128.89 127.91 42.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.407 HG12 ' HB ' ' B' ' 6' ' ' ILE . 9.7 p -91.62 139.51 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -126.82 126.67 43.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.79 165.06 21.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -135.59 131.13 35.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.636 HD23 ' CD1' ' B' ' 32' ' ' TYR . 0.5 OUTLIER -115.75 117.72 31.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -109.88 -26.83 9.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -151.23 162.97 29.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.495 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.93 116.85 1.06 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.3 m -151.14 168.28 25.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.6 -64.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -132.8 147.57 52.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.17 139.45 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -98.52 146.93 25.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.795 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 40.8 t -131.2 124.97 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -130.3 127.32 39.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.585 HG23 HG22 ' B' ' 8' ' ' ILE . 70.4 mt -123.25 125.4 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.32 127.16 55.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.722 HG22 HG23 ' B' ' 6' ' ' ILE . 10.3 pt -110.88 135.14 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -111.27 100.18 8.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -110.51 169.09 8.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -74.2 -56.33 5.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 15' ' ' GLU . 3.7 t -106.28 160.52 15.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -38.44 87.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -32.8 71.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.535 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 6.4 mm-40 -67.11 -38.55 85.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB1' ' CG2' ' A' ' 44' ' ' VAL . . . -68.29 -37.01 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -70.02 -36.73 75.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmpm? -59.35 -34.36 72.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 21.8 m-85 -86.73 -39.38 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.68 -42.46 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -53.95 -44.63 70.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.759 HD13 ' CG1' ' B' ' 26' ' ' VAL . 18.1 mt -67.84 -49.11 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.542 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -53.34 -39.58 64.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.2 mt -60.54 -42.8 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -65.7 -42.19 91.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.754 ' CG1' HD13 ' B' ' 22' ' ' ILE . 16.9 t -64.7 -40.34 88.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.542 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.5 m-85 -69.2 -42.43 75.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.94 90.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -18.56 63.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.5 mt -90.77 -1.3 57.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.92 11.76 67.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -94.69 35.21 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -50.16 161.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.73 59.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -91.11 149.0 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -124.75 122.71 38.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.4 136.99 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.0 p -136.87 126.73 25.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.488 ' HB3' HG12 ' A' ' 44' ' ' VAL . 53.1 p-90 -103.97 125.5 50.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.952 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -142.1 108.4 5.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.22 45.83 9.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.45 16.38 9.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 9' ' ' THR . 0.3 OUTLIER -126.23 123.73 38.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.492 ' CG2' ' HB1' ' A' ' 16' ' ' ALA . 18.4 m -96.41 136.07 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.9 m -128.41 124.49 36.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -89.59 138.32 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -126.03 117.42 23.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.9 151.41 19.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -126.41 146.5 50.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.8 tp -105.79 144.3 32.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -111.54 -37.82 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.44 -38.27 0.89 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.441 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -134.98 -173.83 13.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -128.07 132.81 49.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.4 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.64 72.31 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -55.01 147.63 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.49 125.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.2 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.88 146.85 30.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.58 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 51.9 t -128.11 125.33 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.29 127.49 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.722 HG23 HG22 ' A' ' 8' ' ' ILE . 61.8 mt -124.84 125.39 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.25 126.54 55.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.666 HG12 HG23 ' B' ' 44' ' ' VAL . 10.4 pt -110.75 135.33 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.25 96.88 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.97 169.09 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.102 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -74.98 -65.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.546 HG23 ' H ' ' B' ' 15' ' ' GLU . 6.0 t -101.44 162.87 12.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -61.37 -41.32 96.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -33.88 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.546 ' H ' HG23 ' B' ' 12' ' ' THR . 23.4 mt-10 -67.04 -52.17 45.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.811 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.655 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -60.53 -41.3 94.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.85 -39.89 78.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -60.02 -34.44 73.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.795 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 38.2 m-85 -76.92 -42.98 37.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.17 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.062 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.612 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.43 -46.06 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.754 HD13 ' CG1' ' A' ' 26' ' ' VAL . 14.3 mt -68.85 -49.15 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.592 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -52.44 -40.21 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' B' ' 21' ' ' ALA . 11.8 mt -59.75 -43.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -65.12 -42.14 94.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.759 ' CG1' HD13 ' A' ' 22' ' ' ILE . 17.0 t -64.68 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.592 ' CE2' HD12 ' B' ' 23' ' ' LEU . 8.5 m-85 -68.93 -42.47 76.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.88 88.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -18.51 64.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.9 mt -90.8 -2.74 57.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.99 12.57 65.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.67 ' CE1' HD13 ' B' ' 50' ' ' LEU . 14.7 m-85 -94.69 35.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -49.8 161.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 t0 70.55 59.28 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.49 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -89.95 149.07 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.58 124.48 36.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.8 p -101.24 137.0 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -131.93 114.11 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' TRP . . . . . 0.649 ' HB3' HG12 ' B' ' 44' ' ' VAL . 69.2 p-90 -105.46 142.52 35.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -142.05 100.09 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.5 -85.22 1.4 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -146.95 18.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.386 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.17 131.99 51.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.666 HG23 HG12 ' B' ' 8' ' ' ILE . 4.5 m -111.07 133.24 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.5 m -128.99 125.17 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -90.55 138.23 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -124.96 120.95 33.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.75 153.19 20.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -124.74 156.59 37.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.353 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.67 HD13 ' CE1' ' B' ' 32' ' ' TYR . 17.4 tp -110.62 147.53 34.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -33.05 38.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.55 110.44 3.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.36 97.64 0.34 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 7.9 m -148.57 144.82 27.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.92 68.81 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -84.12 -169.94 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.27 146.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.63 147.04 29.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.688 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 38.8 t -128.89 123.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -130.11 125.36 34.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.573 HG12 HG23 ' B' ' 8' ' ' ILE . 28.7 mt -119.58 125.77 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.79 127.09 55.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.73 HG22 HG23 ' B' ' 6' ' ' ILE . 8.4 pt -113.24 135.34 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.04 100.96 8.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.32 159.01 16.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' HG3' HG22 ' A' ' 12' ' ' THR . 9.4 ptp180 -69.37 -25.22 64.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.51 HG22 ' HG3' ' A' ' 11' ' ' ARG . 1.7 t -139.86 149.84 43.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -56.46 -36.02 68.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.01 82.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' H ' HG23 ' A' ' 12' ' ' THR . 41.5 mt-10 -67.07 -52.21 44.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.605 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -59.84 -41.43 91.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.08 -39.9 83.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -62.21 -46.07 90.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 17.6 m-85 -64.62 -41.07 96.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.18 76.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -53.77 -44.06 69.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.754 HD13 ' CG1' ' B' ' 26' ' ' VAL . 19.8 mt -68.32 -49.14 69.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.755 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -53.53 -40.62 65.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.3 mt -59.75 -42.89 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -65.96 -42.14 90.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' B' ' 22' ' ' ILE . 18.2 t -64.55 -40.69 89.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.755 ' CE2' HD12 ' A' ' 23' ' ' LEU . 9.1 m-85 -65.97 -42.52 89.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.15 -46.11 88.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -18.83 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.442 ' CD1' HG12 ' A' ' 26' ' ' VAL . 31.3 mt -88.61 -12.01 43.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.32 11.7 51.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.536 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 17.8 m-85 -94.07 36.39 1.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.936 0.398 . . . . 0.0 110.939 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -49.04 161.54 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t70 70.31 57.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.445 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -87.82 148.97 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -130.3 121.45 26.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.5 p -101.82 136.83 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 p -129.71 123.12 30.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -109.39 142.55 40.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.79 102.1 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.67 -78.27 2.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -153.95 21.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.14 132.04 51.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.649 HG23 HG12 ' A' ' 8' ' ' ILE . 5.2 m -110.07 133.05 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.2 m -130.4 123.41 29.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 6' ' ' ILE . 7.9 p -88.81 139.5 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.2 116.49 22.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.07 147.42 17.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.41 140.75 51.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.536 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -103.92 139.86 38.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.425 ' H ' HD23 ' A' ' 50' ' ' LEU . 5.0 pt-20 -117.02 -31.95 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.61 113.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.81 -155.04 21.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 m -145.28 107.46 4.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 58' ' ' HIS . 4.5 mm? -70.63 86.32 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.14 -31.49 61.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -120.17 9.62 11.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.426 ' HA ' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.463 ' OE2' HD13 ' B' ' 50' ' ' LEU . 15.6 pt-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.16 140.32 52.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.688 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 58.3 t -132.2 125.02 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -130.32 128.17 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.73 HG23 HG22 ' A' ' 8' ' ' ILE . 54.4 mt -125.13 125.65 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.07 135.15 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.573 HG23 HG12 ' A' ' 6' ' ' ILE . 26.5 mt -110.58 135.33 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -101.35 73.53 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.73 149.07 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -78.02 -41.24 36.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.44 148.68 37.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.175 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -27.88 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -59.08 -43.3 91.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.01 -52.17 45.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.666 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -59.06 -39.32 81.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.44 -46.07 87.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -60.58 -38.29 84.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.688 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 48.9 m-85 -71.35 -45.8 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.99 -43.88 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.54 -47.59 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.758 HD13 ' CG1' ' A' ' 26' ' ' VAL . 6.9 mt -68.08 -47.45 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.635 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.4 mm? -51.81 -40.26 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' B' ' 21' ' ' ALA . 9.1 mt -59.35 -43.96 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -65.11 -42.1 94.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.754 ' CG1' HD13 ' A' ' 22' ' ' ILE . 17.0 t -64.84 -40.31 88.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.635 ' CE2' HD12 ' B' ' 23' ' ' LEU . 10.6 m-85 -68.75 -43.11 76.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.48 90.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -18.55 64.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -90.31 -12.1 38.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.27 12.16 49.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.567 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 20.1 m-85 -94.37 36.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.383 . . . . 0.0 110.92 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -49.23 161.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 70.53 58.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.467 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.8 OUTLIER -87.64 149.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -128.58 120.54 26.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -104.57 137.01 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -134.74 113.83 12.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -97.39 136.63 37.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -138.8 99.79 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.89 -85.3 1.44 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.1 18.48 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.911 0.386 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.51 121.9 33.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.666 HG11 ' HB1' ' B' ' 16' ' ' ALA . 12.5 p -95.79 130.99 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 26.0 m -125.15 123.0 38.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.7 p -98.11 137.21 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -120.68 117.07 26.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLY . . . . . 0.429 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.88 143.37 14.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.55 146.43 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.567 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.4 OUTLIER -107.15 141.07 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.415 ' H ' HD23 ' B' ' 50' ' ' LEU . 0.1 OUTLIER -97.06 34.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.91 143.26 21.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.18 44.36 5.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 6.6 m -160.49 164.44 32.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 110.903 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.58 -46.85 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -119.16 -25.56 6.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -50.89 115.44 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 9.2 p80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -92.7 144.5 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 79.0 t -131.75 127.06 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.31 128.13 40.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.554 HD12 ' CD1' ' A' ' 23' ' ' LEU . 27.4 mt -125.09 132.09 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.93 132.98 56.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.713 ' O ' HG22 ' A' ' 43' ' ' THR . 28.7 mt -110.19 135.47 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.66 75.95 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.56 148.15 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -77.11 -41.55 41.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.05 147.08 37.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -25.61 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -43.04 98.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.91 -52.21 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.53 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -59.86 -41.22 90.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.24 -41.31 98.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -67.25 -37.36 83.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -73.58 -41.76 62.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -45.89 78.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.715 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.93 -47.13 64.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.713 HD13 ' CG1' ' B' ' 26' ' ' VAL . 8.1 mt -65.07 -49.17 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.554 ' CD1' HD12 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -53.48 -38.7 63.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.6 mt -61.71 -42.7 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.1 -42.0 89.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.72 ' CG1' HD13 ' B' ' 22' ' ' ILE . 13.5 t -65.08 -40.74 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.1 m-85 -67.97 -41.14 82.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.49 94.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.11 -18.58 63.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.5 mt -92.19 0.52 57.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 8.8 72.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -94.67 33.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -50.06 161.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t70 71.26 61.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.486 HD11 ' HA3' ' A' ' 48' ' ' GLY . 0.6 OUTLIER -93.74 148.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -137.03 132.17 33.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.02 137.43 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p -135.96 113.84 11.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -59.49 134.07 56.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -142.08 99.6 3.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.75 50.68 52.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.36 16.37 9.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.868 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -126.47 121.61 32.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.53 HG21 ' HB1' ' A' ' 16' ' ' ALA . 35.7 m -73.18 129.39 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.2 m -125.0 115.91 21.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -89.87 135.22 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -118.11 118.67 32.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.486 ' HA3' HD11 ' A' ' 35' ' ' ILE . . . -128.76 142.45 13.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.49 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -122.88 142.65 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.9 tp -93.03 148.42 22.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -114.26 -30.05 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.17 -121.19 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.45 -117.55 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.475 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.4 m -119.65 -48.25 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 55' ' ' LEU . 4.3 mm? 50.99 57.71 6.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.97 147.69 52.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.37 149.53 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.6 p80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.842 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.61 147.1 34.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.68 127.04 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -130.27 124.34 32.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.548 HD12 HD11 ' B' ' 23' ' ' LEU . 32.0 mt -124.3 125.78 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.89 137.28 52.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.413 HG23 HG12 ' A' ' 6' ' ' ILE . 28.0 mt -110.22 135.48 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.77 74.63 1.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' B' ' 16' ' ' ALA . . . -100.52 151.68 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.029 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -74.41 -41.5 60.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.89 156.94 23.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -70.12 -26.77 64.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -42.28 99.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.21 -52.08 45.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.73 ' HB1' ' CG1' ' B' ' 44' ' ' VAL . . . -61.33 -42.46 98.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.91 -41.03 81.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -62.86 -34.91 78.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -73.9 -40.95 62.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.53 78.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.5 -47.86 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.72 HD13 ' CG1' ' A' ' 26' ' ' VAL . 5.9 mt -66.56 -48.6 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.572 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.0 OUTLIER -51.89 -40.55 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' B' ' 21' ' ' ALA . 10.0 mt -59.32 -44.75 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -64.12 -42.07 96.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.713 ' CG1' HD13 ' A' ' 22' ' ' ILE . 13.8 t -65.29 -40.26 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.572 ' CE2' HD12 ' B' ' 23' ' ' LEU . 5.7 m-85 -70.24 -42.34 72.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.59 92.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -18.57 64.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -91.37 -1.66 57.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.63 12.85 66.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.37 35.41 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -49.94 161.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.55 59.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.466 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -90.75 149.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -125.17 123.03 38.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -110.27 137.1 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p -136.36 113.85 10.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -97.17 139.92 32.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -142.08 99.95 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.91 -83.44 1.59 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.48 19.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.408 HG22 ' O ' ' B' ' 8' ' ' ILE . 0.2 OUTLIER -126.27 121.75 33.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.73 ' CG1' ' HB1' ' B' ' 16' ' ' ALA . 11.8 p -99.9 130.51 48.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 42.2 m -123.08 137.58 54.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.2 p -114.94 137.06 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -122.32 116.61 24.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLY . . . . . 0.439 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.99 143.98 14.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.29 154.3 35.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.6 tp -109.94 146.07 35.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -118.21 -38.35 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.93 -76.43 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.08 -81.78 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -153.57 139.57 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 0.0 110.835 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.72 -70.25 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -141.7 -176.42 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -176.9 34.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.74 126.22 37.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.86 125.25 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -130.39 118.88 21.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.556 HD12 HD11 ' A' ' 23' ' ' LEU . 37.1 mt -115.98 125.75 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.34 126.03 54.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.737 HG22 HG23 ' B' ' 6' ' ' ILE . 8.5 pt -113.01 135.3 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.82 99.49 7.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -107.19 169.11 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -69.72 -52.04 29.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.482 HG23 ' H ' ' A' ' 15' ' ' GLU . 3.3 t -117.02 159.98 21.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -59.6 -39.92 85.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -34.41 72.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' H ' HG23 ' A' ' 12' ' ' THR . 11.3 mm-40 -67.07 -52.08 46.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.634 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -62.16 -43.11 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.06 -39.77 79.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -59.98 -33.18 71.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -80.21 -38.07 31.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.59 -44.14 76.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.632 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.82 -44.92 63.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' B' ' 26' ' ' VAL . 18.2 mt -68.35 -49.24 68.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.6 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -53.9 -39.35 65.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.7 mt -61.02 -42.61 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -65.97 -42.1 90.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.747 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.7 t -64.63 -40.68 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.9 m-85 -67.85 -42.29 81.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.87 90.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -18.81 63.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 30' ' ' LEU . 22.4 mt -90.56 -0.54 57.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 10.69 69.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.638 ' CE1' HD13 ' A' ' 50' ' ' LEU . 17.0 m-85 -94.66 34.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.898 0.38 . . . . 0.0 110.913 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -50.5 161.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 70.31 57.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.493 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -87.79 149.03 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.78 124.57 35.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -101.7 136.12 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 p -128.96 116.3 19.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.409 ' HB3' HG12 ' A' ' 44' ' ' VAL . 69.6 p-90 -104.72 142.55 34.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -141.17 100.96 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.821 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.04 -79.68 1.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.89 20.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.09 131.91 52.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.649 HG23 HG12 ' A' ' 8' ' ' ILE . 5.8 m -109.81 132.58 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -129.99 122.02 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -87.82 138.29 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -126.26 120.71 30.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.23 151.65 19.95 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -123.58 154.77 38.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.638 HD13 ' CE1' ' A' ' 32' ' ' TYR . 15.3 tp -112.91 151.01 31.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -123.64 -36.81 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.72 176.78 44.16 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.04 -116.6 5.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -155.36 133.47 11.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.13 83.83 3.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -61.64 -169.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -179.25 104.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -108.48 147.09 32.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 67.6 t -120.9 127.34 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -130.33 124.44 32.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.737 HG23 HG22 ' A' ' 8' ' ' ILE . 54.5 mt -125.21 125.72 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 3.0 t -114.06 136.8 52.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.502 HG23 HG12 ' A' ' 6' ' ' ILE . 27.0 mt -110.53 135.26 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.58 74.06 1.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.07 166.43 10.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -80.45 -71.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.449 HG23 ' H ' ' B' ' 15' ' ' GLU . 7.3 t -86.82 -172.48 4.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -86.45 -37.8 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -33.23 68.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.449 ' H ' HG23 ' B' ' 12' ' ' THR . 19.5 mt-10 -67.75 -49.39 62.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.648 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -68.44 -39.43 81.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -63.01 -36.97 85.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -62.95 -32.03 73.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -83.79 -39.49 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.84 -43.62 77.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.712 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.59 -46.86 63.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.747 HD13 ' CG1' ' A' ' 26' ' ' VAL . 7.1 mt -67.78 -48.56 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.551 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.2 mm? -51.74 -39.08 57.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' B' ' 21' ' ' ALA . 10.1 mt -60.83 -43.85 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -64.93 -42.09 94.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' A' ' 22' ' ' ILE . 14.4 t -65.09 -40.09 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.551 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.7 m-85 -70.48 -42.49 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.73 91.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -18.44 64.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -91.46 -1.43 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.72 12.36 66.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.745 ' CE1' HD13 ' B' ' 50' ' ' LEU . 13.1 m-85 -94.25 35.79 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -49.61 160.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 t0 68.52 64.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -92.5 148.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -125.84 120.21 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.8 137.05 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 71.2 p -134.91 113.91 12.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -96.82 126.03 41.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -127.15 99.86 5.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.69 -85.53 1.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.59 18.23 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 8' ' ' ILE . 5.3 m -126.43 121.7 33.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.648 HG11 ' HB1' ' B' ' 16' ' ' ALA . 12.3 p -90.6 126.68 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.1 m -121.08 117.68 27.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -92.98 136.16 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -121.79 122.93 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.97 149.05 19.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.82 153.07 35.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.745 HD13 ' CE1' ' B' ' 32' ' ' TYR . 18.3 tp -110.84 146.7 35.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.87 36.11 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.81 -171.56 21.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.04 -116.32 0.67 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 61.4 m -160.85 -40.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 110.874 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.21 26.45 8.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -172.23 -170.07 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -174.98 44.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.878 0.371 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.95 147.03 32.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.0 t -131.8 124.84 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -130.32 121.47 26.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.683 HG23 HG22 ' B' ' 8' ' ' ILE . 64.0 mt -120.39 125.16 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.76 125.55 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.634 HG22 HG23 ' B' ' 6' ' ' ILE . 9.7 pt -110.91 135.62 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.539 HG23 HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -111.61 93.25 4.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.04 169.03 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -75.62 -65.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 15' ' ' GLU . 4.1 t -98.99 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -62.02 -40.75 96.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -57.86 -34.14 69.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.515 ' H ' HG23 ' A' ' 12' ' ' THR . 7.0 mm-40 -66.98 -52.04 47.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.632 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.84 -40.76 89.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -39.99 79.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -62.01 -38.59 89.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.785 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 32.2 m-85 -70.01 -45.0 68.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.26 76.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.33 -46.06 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.764 HD13 ' CG1' ' B' ' 26' ' ' VAL . 15.0 mt -69.11 -49.15 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.616 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.0 OUTLIER -52.45 -40.64 62.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.7 mt -59.07 -42.82 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -66.05 -42.07 89.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' B' ' 22' ' ' ILE . 16.7 t -64.45 -40.39 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.616 ' CE2' HD12 ' A' ' 23' ' ' LEU . 8.1 m-85 -69.63 -42.5 74.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.5 91.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.94 -18.54 64.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.1 mt -91.21 -2.35 57.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 13.45 64.6 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -94.66 34.98 1.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -49.84 161.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 70.42 56.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -86.6 149.01 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.89 124.44 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 p -101.46 137.06 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 p -130.83 116.25 17.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 -101.49 142.41 32.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.91 101.42 3.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.35 -85.27 1.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -147.58 18.81 1.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.369 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.539 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -126.12 126.84 44.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.632 HG11 ' HB1' ' A' ' 16' ' ' ALA . 3.5 p -102.39 132.69 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.4 m -128.61 128.66 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.97 138.6 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -125.69 119.69 28.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.83 152.29 19.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.31 150.88 49.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.1 tp -113.91 149.32 35.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -116.07 -28.14 6.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.49 77.85 0.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.0 -126.89 1.04 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.525 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.29 129.5 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.9 65.71 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -69.86 -19.12 63.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -51.06 145.06 8.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.5 147.07 27.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.785 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 45.0 t -131.76 125.11 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -130.41 125.62 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.634 HG23 HG22 ' A' ' 8' ' ' ILE . 68.7 mt -120.85 125.38 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.39 125.43 53.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.683 HG22 HG23 ' A' ' 6' ' ' ILE . 9.6 pt -111.44 135.45 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.31 114.45 25.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.91 169.02 12.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -75.22 -40.2 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -121.91 158.28 29.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -63.86 -37.0 85.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -57.99 -34.87 70.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -33.77 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 1.016 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -68.22 -43.64 77.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.07 -36.91 85.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -60.36 -31.93 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -90.82 -39.97 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.76 73.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.633 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -54.51 -44.56 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.758 HD13 ' CG1' ' A' ' 26' ' ' VAL . 16.5 mt -68.24 -49.03 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.594 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.8 OUTLIER -52.64 -40.37 62.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.4 mt -59.75 -43.91 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -64.58 -42.12 95.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.764 ' CG1' HD13 ' A' ' 22' ' ' ILE . 17.5 t -64.81 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.594 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.0 m-85 -68.92 -42.36 76.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.84 90.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -18.53 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.8 mt -91.02 -0.84 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.83 11.38 68.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -94.73 35.11 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.941 0.4 . . . . 0.0 110.951 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -50.4 161.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 70.61 58.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.478 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -89.29 148.88 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.08 124.98 40.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -102.12 136.94 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 17.3 p -131.89 126.12 33.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -104.44 120.71 41.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -142.29 125.64 16.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.45 46.6 89.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.25 21.11 9.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.1 132.08 51.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 1.016 HG21 ' HB1' ' B' ' 16' ' ' ALA . 6.5 m -104.0 132.42 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 10.8 m -131.42 126.67 35.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.6 p -91.04 138.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.92 119.94 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.9 151.52 19.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.86 153.75 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 45.1 tp -110.19 141.71 42.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -112.72 -31.36 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.62 72.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.87 165.14 33.52 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -154.58 -63.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.832 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 50.75 34.8 10.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -72.28 147.41 46.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.13 143.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -92.91 122.39 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.38 124.05 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -130.21 121.33 26.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.604 HD12 HD11 ' A' ' 23' ' ' LEU . 24.2 mt -117.05 125.68 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.98 125.06 51.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.76 HG22 HG23 ' B' ' 6' ' ' ILE . 8.9 pt -112.4 135.28 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.48 97.02 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.76 169.06 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.629 ' HG3' HG22 ' A' ' 12' ' ' THR . 7.2 ptm180 -74.03 -34.97 64.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.629 HG22 ' HG3' ' A' ' 11' ' ' ARG . 2.1 t -137.98 158.79 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -56.5 -40.45 75.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -38.02 77.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 12' ' ' THR . 10.2 mm-40 -66.95 -52.08 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.687 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -61.37 -42.26 98.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.14 -39.87 79.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -60.49 -32.27 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -80.67 -38.54 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.17 77.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.74 -45.77 63.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' B' ' 26' ' ' VAL . 15.3 mt -67.72 -49.11 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.604 HD11 HD12 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -53.8 -39.65 65.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.6 mt -60.65 -42.67 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -66.04 -42.12 89.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.741 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.5 t -64.55 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.567 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.9 m-85 -69.05 -42.17 76.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.75 91.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -18.57 63.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.72 -0.18 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.97 10.19 69.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.742 ' CE1' HD13 ' A' ' 50' ' ' LEU . 17.8 m-85 -94.59 34.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -50.33 161.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 70.55 57.99 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -88.16 146.35 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -124.78 125.6 44.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -102.54 134.98 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.7 p -130.07 127.27 39.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -111.7 140.49 46.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -136.83 100.52 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.78 -78.51 2.0 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.41 21.24 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.913 0.387 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.08 131.97 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.687 HG11 ' HB1' ' A' ' 16' ' ' ALA . 2.8 p -106.7 132.77 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.5 m -130.65 126.44 36.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.05 138.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -126.07 120.78 31.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.23 151.7 19.52 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.85 141.45 51.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.742 HD13 ' CE1' ' A' ' 32' ' ' TYR . 15.4 tp -97.16 148.12 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.42 -33.4 4.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.95 -86.12 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.68 132.18 1.69 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -161.83 -40.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.04 26.58 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -79.41 163.3 24.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.29 138.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -92.78 138.21 31.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 90.8 t -125.86 129.95 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.586 ' NE ' HG21 ' B' ' 45' ' ' THR . 20.9 ttt85 -130.41 123.21 29.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.76 HG23 HG22 ' A' ' 8' ' ' ILE . 55.3 mt -125.14 125.74 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 2.6 t -114.68 137.01 52.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.537 HG23 HG12 ' A' ' 6' ' ' ILE . 27.2 mt -110.46 135.37 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.26 73.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.01 164.57 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.1 -68.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.433 HG23 ' H ' ' B' ' 15' ' ' GLU . 8.6 t -96.96 164.4 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -64.72 -30.85 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -43.1 89.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.433 ' H ' HG23 ' B' ' 12' ' ' THR . 0.8 OUTLIER -64.82 -52.14 58.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.643 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -60.47 -38.23 83.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.87 -39.9 94.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -59.91 -32.09 70.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.407 ' HB2' HD13 ' B' ' 8' ' ' ILE . 44.5 m-85 -83.04 -39.5 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.88 -43.61 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.36 -47.11 62.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.741 HD13 ' CG1' ' A' ' 26' ' ' VAL . 6.6 mt -67.89 -48.3 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.575 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -51.72 -39.7 58.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' B' ' 21' ' ' ALA . 9.8 mt -60.18 -44.5 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -64.35 -42.01 96.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' A' ' 22' ' ' ILE . 14.0 t -65.2 -40.15 87.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.575 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.5 m-85 -70.37 -42.43 71.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.7 91.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -18.42 64.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 37.9 mt -91.4 -2.2 57.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.73 13.26 65.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.611 ' CE1' HD13 ' B' ' 50' ' ' LEU . 13.2 m-85 -94.42 35.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.407 . . . . 0.0 110.967 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -49.69 161.47 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 70.54 56.34 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.467 HD11 ' HA3' ' B' ' 48' ' ' GLY . 0.7 OUTLIER -85.97 149.03 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -127.48 121.51 30.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 p -101.36 136.73 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 81.4 p -135.18 113.79 11.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -96.29 126.66 41.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -127.61 99.84 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.4 -85.25 1.52 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.7 18.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.482 HG23 ' O ' ' B' ' 8' ' ' ILE . 4.2 m -126.4 121.72 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.643 HG11 ' HB1' ' B' ' 16' ' ' ALA . 12.2 p -90.42 127.02 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' THR . . . . . 0.586 HG21 ' NE ' ' B' ' 5' ' ' ARG . 7.0 m -121.2 121.08 37.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.8 p -97.14 136.31 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -119.46 116.74 26.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLY . . . . . 0.467 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.84 141.58 12.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.53 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.438 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 2.4 pm0 -121.19 144.33 48.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.611 HD13 ' CE1' ' B' ' 32' ' ' TYR . 20.4 tp -94.29 144.44 25.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.2 33.82 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.75 -52.17 5.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.73 -39.16 97.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m 62.81 101.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.16 85.6 4.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 44.0 -163.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.77 -43.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -92.58 127.44 38.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.774 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 44.6 t -107.91 127.61 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.578 ' CZ ' HG21 ' A' ' 45' ' ' THR . 42.0 ttt85 -130.14 119.02 22.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.684 HG23 HG22 ' B' ' 8' ' ' ILE . 64.1 mt -117.03 125.4 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.16 119.11 38.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.69 HG22 HG23 ' B' ' 6' ' ' ILE . 14.5 pt -110.1 135.14 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.078 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.97 126.76 55.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . . . -129.82 168.91 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' HG3' HG22 ' A' ' 12' ' ' THR . 10.6 ptm180 -73.85 -30.86 62.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.1 t -141.98 153.66 44.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -53.69 -36.55 62.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mmpp? -63.47 -37.89 89.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.926 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.554 ' H ' HG23 ' A' ' 12' ' ' THR . 2.0 mm-40 -66.81 -52.08 48.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.58 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -64.2 -36.21 83.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.79 -39.88 78.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -62.62 -31.94 72.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -77.02 -42.28 39.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.51 -42.5 74.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -54.68 -43.26 72.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.748 HD13 ' CG1' ' B' ' 26' ' ' VAL . 19.5 mt -68.54 -49.01 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.644 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -53.07 -39.48 63.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.9 mt -61.11 -43.48 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.87 -42.19 95.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.749 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.7 t -64.64 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.644 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.5 m-85 -67.76 -42.19 82.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.91 96.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -18.44 64.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.2 mt -93.39 -0.39 56.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 11.73 67.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.665 ' CD1' HD23 ' A' ' 50' ' ' LEU . 12.2 m-85 -94.31 32.81 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -50.17 161.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 69.86 59.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -89.58 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -125.7 126.59 44.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -103.04 135.81 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -132.09 116.19 16.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 -103.14 123.36 46.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -142.09 103.07 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.74 50.57 3.49 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.517 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 52.29 29.67 7.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -122.18 132.13 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.58 HG21 ' HB1' ' A' ' 16' ' ' ALA . 52.9 t -94.6 131.75 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.578 HG21 ' CZ ' ' A' ' 5' ' ' ARG . 96.8 m -142.51 136.25 29.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.0 p -115.85 136.75 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -125.99 128.4 47.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.39 160.53 24.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -128.72 141.87 51.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.665 HD23 ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -120.27 134.84 55.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.609 ' N ' HD13 ' A' ' 50' ' ' LEU . 2.5 tt0 -102.96 -45.94 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.95 94.6 2.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.27 73.49 0.74 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.53 ' C ' HD22 ' A' ' 55' ' ' LEU . 1.4 m -132.85 177.23 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.53 HD22 ' C ' ' A' ' 54' ' ' SER . 4.5 mm? -125.91 -69.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -158.68 -169.95 2.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.26 159.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -92.57 130.42 38.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.91 126.42 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -130.27 121.07 25.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.69 HG23 HG22 ' A' ' 8' ' ' ILE . 72.4 mt -119.89 125.05 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.48 124.89 53.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.684 HG22 HG23 ' A' ' 6' ' ' ILE . 9.0 pt -110.82 135.3 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.546 HG23 HG23 ' B' ' 43' ' ' THR . 1.2 m -114.13 100.56 8.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.74 169.05 8.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -78.3 -39.96 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.419 HG23 ' H ' ' B' ' 15' ' ' GLU . 1.7 t -122.79 158.34 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.5 -38.66 91.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.91 -36.45 72.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.419 ' H ' HG23 ' B' ' 12' ' ' THR . 16.3 mm-40 -67.09 -52.07 46.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.733 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -58.8 -40.55 84.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -57.83 -39.87 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -64.59 -33.79 76.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.774 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 31.2 m-85 -72.9 -44.19 61.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.76 -44.39 77.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.598 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.22 -46.17 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.749 HD13 ' CG1' ' A' ' 26' ' ' VAL . 19.6 mt -68.65 -49.24 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.52 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -53.35 -39.6 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.4 mt -60.38 -42.84 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -66.08 -42.17 89.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.748 ' CG1' HD13 ' A' ' 22' ' ' ILE . 16.1 t -64.8 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.52 ' CE2' HD12 ' B' ' 23' ' ' LEU . 5.6 m-85 -69.39 -42.11 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.43 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -18.54 64.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.594 HD12 ' O ' ' B' ' 26' ' ' VAL . 5.1 mt -91.97 0.31 57.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.64 9.97 71.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.665 ' CD1' HD23 ' B' ' 50' ' ' LEU . 14.7 m-85 -94.03 33.3 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.905 0.383 . . . . 0.0 110.96 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -50.4 161.35 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 69.11 59.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.496 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -89.08 149.2 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.22 128.61 43.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.451 ' CG2' HG23 ' B' ' 44' ' ' VAL . 8.9 p -98.48 137.09 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 24.4 p -136.85 114.91 11.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -66.36 134.82 53.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.03 121.27 13.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 53.17 46.78 62.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.438 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.63 18.12 10.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.883 0.373 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.569 HG22 ' O ' ' B' ' 8' ' ' ILE . 0.2 OUTLIER -126.19 121.41 32.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.733 HG11 ' HB1' ' B' ' 16' ' ' ALA . 3.3 p -71.26 130.99 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.8 m -129.48 133.5 47.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -99.18 137.46 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -128.62 129.0 45.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.49 170.86 21.78 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.82 146.69 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.665 HD23 ' CD1' ' B' ' 32' ' ' TYR . 0.6 OUTLIER -124.77 130.33 52.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.514 ' N ' HD13 ' B' ' 50' ' ' LEU . 3.1 tt0 -95.34 -47.35 6.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.18 73.36 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.68 -169.48 30.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.502 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -109.81 -60.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 50.86 62.49 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.48 147.67 25.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.26 122.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -105.52 140.04 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.761 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 40.8 t -132.08 129.57 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.46 118.87 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.658 HG23 HG22 ' B' ' 8' ' ' ILE . 64.8 mt -116.55 125.39 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.52 118.6 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.644 HG22 HG23 ' B' ' 6' ' ' ILE . 13.9 pt -110.0 135.12 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.33 129.14 56.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . . . -132.85 165.1 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.58 ' HG3' HG22 ' A' ' 12' ' ' THR . 10.1 ptt180 -71.9 -37.12 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.593 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.6 t -134.25 156.94 47.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -35.96 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -38.29 90.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.593 ' H ' HG23 ' A' ' 12' ' ' THR . 2.7 mm-40 -67.01 -52.11 46.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.722 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -62.54 -37.44 86.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.87 -39.9 78.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -62.58 -31.97 72.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -76.66 -43.5 37.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.48 -42.57 74.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.652 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -55.04 -42.16 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.075 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.742 HD13 ' CG1' ' B' ' 26' ' ' VAL . 21.8 mt -69.06 -48.93 66.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.589 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -53.62 -39.24 64.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.0 mt -61.57 -43.15 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -65.31 -42.22 93.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.747 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.6 t -64.47 -40.51 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.589 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.2 m-85 -69.42 -39.52 77.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.33 94.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -18.46 64.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -92.42 -2.68 56.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.78 14.03 63.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.8 m-85 -93.77 34.79 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.907 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -49.97 161.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t70 69.28 64.61 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -93.85 144.83 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -122.26 123.87 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 45' ' ' THR . 11.2 p -101.88 135.01 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.3 p -128.89 116.94 20.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -106.45 122.75 46.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -117.43 105.61 12.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.48 -73.38 2.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.72 26.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.368 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.47 132.14 56.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.722 HG21 ' HB1' ' A' ' 16' ' ' ALA . 61.6 t -93.64 132.6 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 37' ' ' VAL . 96.7 m -142.4 138.11 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -118.65 139.18 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -126.34 121.69 33.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.84 148.57 19.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.74 150.38 40.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.481 HD13 ' C ' ' A' ' 50' ' ' LEU . 2.9 tm? -137.96 125.47 22.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' N ' HD22 ' A' ' 50' ' ' LEU . 4.5 pt-20 -121.2 -35.9 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.53 -92.26 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.42 164.18 1.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -156.17 159.39 38.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -107.09 -60.07 1.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -144.66 -169.99 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.25 100.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.836 0.35 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -126.93 137.45 53.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 62.6 t -132.16 125.95 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -130.42 119.37 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.644 HG23 HG22 ' A' ' 8' ' ' ILE . 72.9 mt -116.23 125.24 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.37 125.44 54.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.658 HG22 HG23 ' A' ' 6' ' ' ILE . 8.2 pt -112.18 135.44 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.89 93.39 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.88 169.43 8.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -71.97 -63.59 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.454 HG23 ' H ' ' B' ' 15' ' ' GLU . 7.9 t -94.8 -172.19 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -88.0 -38.16 15.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -32.8 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.454 ' H ' HG23 ' B' ' 12' ' ' THR . 0.3 OUTLIER -67.18 -36.58 82.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.768 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -68.48 -37.07 79.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -70.06 -37.12 75.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -61.83 -33.65 74.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.951 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.761 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 41.2 m-85 -82.21 -45.26 15.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.13 78.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.6 -46.96 63.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.747 HD13 ' CG1' ' A' ' 26' ' ' VAL . 22.4 mt -68.96 -49.19 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.493 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -52.51 -41.7 63.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' B' ' 21' ' ' ALA . 13.3 mt -58.62 -42.91 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -66.18 -42.14 89.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.742 ' CG1' HD13 ' A' ' 22' ' ' ILE . 18.5 t -63.65 -41.27 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.493 ' CE2' HD12 ' B' ' 23' ' ' LEU . 7.9 m-85 -67.75 -42.07 82.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.35 94.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.95 -18.85 64.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 28.1 mt -91.55 -2.42 57.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.77 13.04 65.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.583 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 16.6 m-85 -94.62 35.48 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -50.49 161.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 70.58 57.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.422 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -86.17 146.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.152 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -126.78 123.15 36.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 p -100.6 137.06 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 12.8 p -131.19 118.27 20.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 70.1 p-90 -104.42 142.21 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -141.93 103.24 4.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.16 -83.44 1.62 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.36 19.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.15 132.1 51.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.768 HG11 ' HB1' ' B' ' 16' ' ' ALA . 3.5 p -108.2 133.43 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 11.7 m -130.54 126.41 36.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.422 HG12 ' HB ' ' B' ' 6' ' ' ILE . 8.9 p -91.79 139.26 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -124.66 119.71 29.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.87 149.61 18.5 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.26 141.05 51.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.583 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER -105.14 139.51 39.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.414 ' H ' HD23 ' B' ' 50' ' ' LEU . 0.0 OUTLIER -120.03 -32.83 4.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.94 -77.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.66 168.29 40.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -159.19 -60.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.83 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 50.83 54.67 10.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -84.94 147.67 26.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.25 158.0 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 34.4 m80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.82 135.66 38.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.683 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 41.1 t -120.4 128.6 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.406 ' HG3' HG22 ' A' ' 45' ' ' THR . 5.6 ttp180 -130.04 127.57 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.678 HG23 HG22 ' B' ' 8' ' ' ILE . 75.3 mt -123.99 125.7 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.45 119.05 38.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.714 HG22 ' CG2' ' B' ' 6' ' ' ILE . 2.1 pp -115.43 130.35 70.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.675 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -110.22 147.8 33.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.685 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -146.12 165.84 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -63.52 -49.1 74.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -128.45 174.27 9.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -61.73 -37.42 84.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -39.13 90.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.685 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 53.1 mm-40 -67.19 -51.12 57.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.46 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.85 -39.68 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -39.98 85.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -60.99 -45.57 94.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.786 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 40.1 m-85 -66.54 -46.8 74.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -43.88 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.698 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -55.76 -45.18 78.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.759 HD13 HG11 ' B' ' 26' ' ' VAL . 19.9 mt -64.02 -49.1 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.72 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -54.38 -41.58 69.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.6 mt -59.45 -42.8 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -65.12 -42.25 94.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.802 HG11 HD13 ' B' ' 22' ' ' ILE . 16.6 t -64.79 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.72 ' CE2' HD12 ' A' ' 23' ' ' LEU . 9.9 m-85 -65.55 -42.26 92.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -45.69 91.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -18.89 64.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.443 ' CD1' HG12 ' A' ' 26' ' ' VAL . 17.0 mt -91.03 -2.11 57.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 12.49 66.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.647 ' CG ' HD23 ' A' ' 50' ' ' LEU . 12.7 m-85 -94.24 34.9 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.906 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.1 t-20 -49.41 161.92 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t0 71.9 56.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.509 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -90.71 149.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -130.79 126.92 37.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.5 p -98.6 137.09 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -131.52 113.94 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -101.33 141.03 34.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -142.06 99.93 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.26 -88.52 1.52 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.77 17.22 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.806 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.675 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -126.18 132.18 51.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.46 HG11 ' HB1' ' A' ' 16' ' ' ALA . 2.5 p -107.27 132.56 54.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.406 HG22 ' HG3' ' A' ' 5' ' ' ARG . 9.2 m -127.95 132.37 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.401 HG11 ' HE2' ' A' ' 27' ' ' PHE . 9.5 p -94.62 139.45 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -127.11 124.48 39.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.77 165.71 21.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -135.09 132.74 38.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.647 HD23 ' CG ' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -116.7 117.47 29.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -108.65 -30.32 8.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.52 -57.66 0.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.47 -106.65 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.62 ' C ' HD22 ' A' ' 55' ' ' LEU . 0.7 OUTLIER 63.13 161.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.62 HD22 ' C ' ' A' ' 54' ' ' SER . 4.3 mm? -127.52 63.32 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.35 -75.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 51.94 -170.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -93.08 147.05 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.786 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 41.3 t -122.06 123.83 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -130.33 127.64 39.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.714 ' CG2' HG22 ' A' ' 8' ' ' ILE . 84.6 mt -125.03 125.69 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.71 129.87 56.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.678 HG22 HG23 ' A' ' 6' ' ' ILE . 12.4 pt -110.78 135.21 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.97 93.79 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.87 169.11 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -83.78 -44.14 14.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.428 HG23 ' H ' ' B' ' 15' ' ' GLU . 1.6 t -111.41 158.05 19.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -36.46 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -41.16 82.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.428 ' H ' HG23 ' B' ' 12' ' ' THR . 33.3 mt-10 -62.88 -33.95 76.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.749 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -68.33 -37.04 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -70.07 -37.19 75.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -63.5 -36.95 85.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.683 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 27.5 m-85 -77.59 -44.63 27.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.71 77.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.646 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.63 -46.55 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.802 HD13 HG11 ' A' ' 26' ' ' VAL . 14.8 mt -66.71 -49.19 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.508 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.2 mm? -54.06 -39.14 66.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' B' ' 21' ' ' ALA . 11.5 mt -61.41 -42.52 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -65.94 -42.13 90.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.759 HG11 HD13 ' A' ' 22' ' ' ILE . 15.6 t -64.68 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.508 ' CE2' HD12 ' B' ' 23' ' ' LEU . 7.1 m-85 -68.04 -42.69 80.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.66 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -18.8 64.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.7 -9.98 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.56 12.11 54.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.544 ' OH ' HD12 ' B' ' 50' ' ' LEU . 18.9 m-85 -94.34 36.01 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.941 0.4 . . . . 0.0 110.922 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -49.59 161.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.45 57.69 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.447 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -88.18 149.1 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.29 123.52 34.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.99 137.05 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 10.9 p -131.88 113.99 14.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.177 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' TRP . . . . . 0.764 ' HB3' HG12 ' B' ' 44' ' ' VAL . 67.6 p-90 -108.98 142.3 39.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -141.92 99.97 3.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.95 -84.99 1.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.14 18.72 1.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.368 . . . . 0.0 110.834 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.15 131.27 52.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.764 HG12 ' HB3' ' B' ' 39' ' ' TRP . 4.0 m -112.55 134.91 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 6.4 m -131.75 125.55 32.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -90.42 137.03 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -121.15 120.2 34.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.88 150.79 18.85 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.79 144.91 50.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.544 HD12 ' OH ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER -107.74 139.51 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.424 ' H ' HD23 ' B' ' 50' ' ' LEU . 4.3 pt-20 -100.27 40.47 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.46 -28.75 38.57 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.444 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.59 36.1 0.8 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -121.06 -60.68 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.382 . . . . 0.0 110.819 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 18.7 mt 50.74 38.99 20.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -75.74 147.73 39.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.4 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -92.68 129.74 38.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 51.4 t -107.97 123.71 63.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -130.27 122.76 28.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.669 HG23 HG22 ' B' ' 8' ' ' ILE . 64.2 mt -120.14 125.31 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.57 124.88 52.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.665 HG22 HG23 ' B' ' 6' ' ' ILE . 9.6 pt -110.98 135.43 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.469 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -111.85 102.27 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.15 169.01 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.582 ' HG3' HG22 ' A' ' 12' ' ' THR . 13.9 ptt180 -72.3 -41.67 66.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.582 HG22 ' HG3' ' A' ' 11' ' ' ARG . 3.4 t -132.5 160.29 36.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -37.34 75.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -41.16 82.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.493 ' H ' HG23 ' A' ' 12' ' ' THR . 0.3 OUTLIER -67.13 -52.06 46.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.654 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.55 -41.32 89.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -39.87 79.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -60.58 -37.47 81.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -74.23 -39.64 62.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.48 75.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.648 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -54.04 -44.71 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.758 HD13 ' CG1' ' B' ' 26' ' ' VAL . 16.2 mt -67.91 -49.22 70.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.549 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -53.01 -38.98 62.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.4 mt -61.13 -42.96 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -65.59 -42.15 92.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.751 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.9 t -64.9 -40.33 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.1 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.549 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.2 m-85 -69.12 -41.52 77.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.66 92.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -18.6 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 26' ' ' VAL . 2.3 mt -91.67 1.08 57.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 8.57 73.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.62 ' CG ' HD23 ' A' ' 50' ' ' LEU . 28.4 m-85 -94.46 33.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.84 161.09 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t70 68.52 61.55 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.478 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -89.82 149.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -122.99 125.11 44.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -100.82 135.54 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -130.51 120.72 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -106.59 142.7 35.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -139.96 100.1 3.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.18 -79.34 1.92 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.13 20.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.469 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -126.14 129.69 49.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.654 HG11 ' HB1' ' A' ' 16' ' ' ALA . 2.9 p -106.22 133.3 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.4 m -131.71 127.64 37.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.67 137.73 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.17 127.97 45.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.73 171.03 19.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.02 147.59 48.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.62 HD23 ' CG ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -131.75 137.28 48.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.527 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -120.44 -37.48 3.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.62 119.1 8.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.18 67.97 0.74 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.9 m -130.65 105.01 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.51 76.22 8.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.4 154.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -151.48 -54.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -92.8 129.0 38.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.8 t -107.99 125.19 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -130.33 121.76 26.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.665 HG23 HG22 ' A' ' 8' ' ' ILE . 66.1 mt -119.75 125.4 74.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.28 125.67 54.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.669 HG22 HG23 ' A' ' 6' ' ' ILE . 10.2 pt -110.92 135.43 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.44 95.63 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.66 168.86 8.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.631 ' HG3' HG22 ' B' ' 12' ' ' THR . 15.4 ptm180 -72.3 -38.45 68.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.631 HG22 ' HG3' ' B' ' 11' ' ' ARG . 2.1 t -133.97 158.71 42.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -39.61 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -38.49 77.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.482 ' H ' HG23 ' B' ' 12' ' ' THR . 3.3 mm-40 -67.0 -51.94 48.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.544 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -60.39 -40.47 91.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.98 -39.91 79.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -60.63 -32.67 71.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -79.5 -39.12 32.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.55 -42.33 74.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -53.83 -44.77 70.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.751 HD13 ' CG1' ' A' ' 26' ' ' VAL . 14.7 mt -68.1 -49.25 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.533 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.0 OUTLIER -52.71 -39.36 61.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.2 mt -60.66 -42.66 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -65.91 -42.13 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' A' ' 22' ' ' ILE . 15.8 t -64.13 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' B' ' 23' ' ' LEU . 7.2 m-85 -69.95 -42.31 73.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.31 93.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -18.7 64.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.586 HD12 ' O ' ' B' ' 26' ' ' VAL . 5.9 mt -91.52 -2.06 57.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 13.25 65.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.635 ' CG ' HD23 ' B' ' 50' ' ' LEU . 17.2 m-85 -94.18 35.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -50.13 161.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 t70 71.02 60.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.402 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -92.81 148.8 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -128.07 127.61 43.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 p -102.39 136.98 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 37.3 p -133.21 126.82 32.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -104.88 121.37 43.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -142.22 121.57 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.45 44.9 62.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.03 19.1 9.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.935 0.398 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.12 132.01 51.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.657 HG23 HG12 ' B' ' 8' ' ' ILE . 11.4 m -101.51 132.69 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 13.6 m -130.0 125.57 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -90.51 137.6 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.62 127.79 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.92 162.43 23.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -131.37 139.41 49.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.635 HD23 ' CG ' ' B' ' 32' ' ' TYR . 0.4 OUTLIER -119.83 117.89 29.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.1 47.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.38 -39.01 82.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.44 -88.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -152.77 -67.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mp 50.04 65.42 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -85.68 147.46 26.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.33 107.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.41 138.47 34.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.671 HG11 ' CE2' ' B' ' 19' ' ' PHE . 39.2 t -132.06 122.46 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -130.15 128.15 41.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.611 HD12 HD11 ' A' ' 23' ' ' LEU . 22.9 mt -122.37 125.53 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.63 125.14 52.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.722 HG22 HG23 ' B' ' 6' ' ' ILE . 8.7 pt -111.11 135.46 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.09 96.87 5.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.23 164.79 11.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -69.63 -49.19 56.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.479 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.3 t -115.94 153.42 31.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -57.08 -38.6 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -59.11 -37.35 76.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' H ' HG23 ' A' ' 12' ' ' THR . 31.5 mm-40 -66.48 -50.66 62.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -60.14 -40.62 90.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.96 -39.93 87.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -61.59 -45.15 95.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.626 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 17.9 m-85 -64.93 -43.01 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -42.41 74.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.664 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -54.51 -45.91 73.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.753 HD13 ' CG1' ' B' ' 26' ' ' VAL . 14.0 mt -66.28 -49.27 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.738 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -51.82 -42.37 62.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.2 mt -58.1 -45.21 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -63.58 -39.3 94.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.743 ' CG1' HD13 ' B' ' 22' ' ' ILE . 6.7 t -68.35 -40.56 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.738 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.4 m-85 -66.69 -42.4 86.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.89 88.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -18.79 63.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 mt -88.85 -11.22 45.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.69 10.57 52.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.506 ' OH ' HD12 ' A' ' 50' ' ' LEU . 21.8 m-85 -94.34 36.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.945 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.15 161.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 t70 69.24 60.8 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.461 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -90.03 149.12 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -127.41 121.62 31.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -101.4 136.82 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.3 p -131.6 118.14 19.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -107.85 142.16 38.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -141.98 103.57 4.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.03 -81.64 1.74 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -151.11 20.44 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.89 0.376 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.08 130.53 51.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.627 HG13 HG12 ' A' ' 8' ' ' ILE . 3.1 p -109.91 132.54 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 m -129.31 127.09 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -91.64 139.21 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -124.59 116.84 23.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.02 154.53 20.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.43 161.86 26.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.506 HD12 ' OH ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -124.88 139.31 53.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' H ' HD23 ' A' ' 50' ' ' LEU . 7.5 pt-20 -118.5 -33.26 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.91 40.49 1.42 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.44 -142.22 4.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.51 -37.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.932 0.396 . . . . 0.0 110.866 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.03 26.34 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 44.01 -163.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -179.75 137.48 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.66 135.32 52.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.626 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 61.4 t -131.98 125.6 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -130.2 125.99 36.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.722 HG23 HG22 ' A' ' 8' ' ' ILE . 59.6 mt -125.17 125.96 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.4 135.3 54.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.588 HG23 HG12 ' A' ' 6' ' ' ILE . 26.6 mt -110.55 135.34 49.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -101.47 71.52 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.16 158.37 16.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -68.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.546 HG23 ' H ' ' B' ' 15' ' ' GLU . 4.4 t -84.82 154.85 22.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -37.63 84.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -36.8 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.546 ' H ' HG23 ' B' ' 12' ' ' THR . 17.5 mm-40 -62.93 -52.23 63.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.721 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -66.77 -40.47 88.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -40.11 79.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -60.4 -40.61 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.671 ' CE2' HG11 ' A' ' 4' ' ' VAL . 58.7 m-85 -73.68 -41.66 62.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.85 -44.43 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.709 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.31 -47.97 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.743 HD13 ' CG1' ' A' ' 26' ' ' VAL . 5.7 mt -68.23 -47.12 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.698 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.4 mm? -51.87 -38.61 56.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' B' ' 21' ' ' ALA . 9.0 mt -61.23 -43.69 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -65.28 -42.13 93.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.753 ' CG1' HD13 ' A' ' 22' ' ' ILE . 14.3 t -64.83 -40.22 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.698 ' CE2' HD12 ' B' ' 23' ' ' LEU . 12.7 m-85 -68.27 -42.48 79.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.71 91.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.059 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.05 -18.49 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 42.9 mt -91.75 -1.75 57.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.1 70.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.635 ' CD1' HD23 ' B' ' 50' ' ' LEU . 18.7 m-85 -93.89 36.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -49.66 160.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 t70 67.55 69.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.462 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -96.22 148.66 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -124.48 118.99 27.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.4 p -104.75 137.04 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 23.5 p -132.9 113.78 13.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -98.01 129.81 44.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -131.73 99.89 4.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.02 -86.08 1.5 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.45 17.62 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.372 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.48 121.88 33.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.721 HG21 ' HB1' ' B' ' 16' ' ' ALA . 33.0 m -95.56 134.25 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.9 m -128.44 119.63 25.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -95.48 136.6 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -120.9 125.75 48.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.7 150.38 18.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.42 149.57 42.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.635 HD23 ' CD1' ' B' ' 32' ' ' TYR . 0.4 OUTLIER -127.04 126.33 42.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -111.62 -37.43 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.56 115.27 0.8 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 162.24 133.67 1.51 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.493 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -160.75 124.61 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.01 -54.42 26.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.21 -76.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 50.79 70.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.796 0.331 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -113.03 147.01 38.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.595 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 48.7 t -130.93 124.55 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -130.09 128.58 42.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.676 HG23 HG22 ' B' ' 8' ' ' ILE . 68.0 mt -124.93 125.1 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.25 128.0 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.63 HG12 HG13 ' A' ' 44' ' ' VAL . 9.2 pt -111.13 135.39 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 94.81 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.16 169.04 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -79.62 -35.76 38.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -127.97 158.02 39.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -34.04 77.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -42.01 84.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.07 -48.44 68.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.547 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.59 -41.51 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -39.92 82.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -64.15 -35.21 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.785 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 42.0 m-85 -72.12 -45.43 60.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.61 77.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.624 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.19 -46.83 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.757 HD13 ' CG1' ' B' ' 26' ' ' VAL . 14.6 mt -67.71 -49.24 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.549 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.3 mm? -52.9 -40.42 63.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.4 mt -59.52 -42.88 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -65.88 -42.14 90.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.744 ' CG1' HD13 ' B' ' 22' ' ' ILE . 17.5 t -64.74 -40.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.549 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.8 m-85 -68.55 -42.4 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.94 -45.61 88.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -18.62 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.423 ' CD1' HG12 ' A' ' 26' ' ' VAL . 23.4 mt -90.92 -3.03 57.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.83 13.35 64.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 15.2 m-85 -94.64 35.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -49.73 161.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 71.04 58.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.473 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -90.85 148.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -126.0 124.16 40.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.5 p -102.81 137.0 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -133.75 124.33 26.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -103.91 121.14 42.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -142.13 122.83 14.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.827 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.08 46.54 71.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.66 20.96 9.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.16 127.42 45.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.63 HG13 HG12 ' A' ' 8' ' ' ILE . 3.5 p -101.8 132.72 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.0 m -131.21 130.28 42.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.5 p -94.77 138.72 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -125.88 119.48 27.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.03 166.47 21.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -145.68 141.21 27.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.591 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -105.59 140.09 39.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' H ' HD23 ' A' ' 50' ' ' LEU . 17.4 pt-20 -117.41 -30.64 5.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.48 -67.02 0.23 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.73 158.77 10.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -169.1 169.89 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.878 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 55' ' ' LEU . 4.3 mm? -103.58 51.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -45.33 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -96.54 103.88 15.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.799 0.333 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -102.57 147.06 27.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.785 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 45.7 t -128.59 126.59 65.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -130.38 126.32 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.612 HG23 HG22 ' A' ' 8' ' ' ILE . 68.4 mt -121.62 125.53 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.71 123.66 49.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.676 HG22 HG23 ' A' ' 6' ' ' ILE . 10.0 pt -110.84 135.44 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.97 106.36 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.616 ' HB1' ' HB3' ' B' ' 15' ' ' GLU . . . -109.97 168.94 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.507 ' HG3' HG22 ' B' ' 12' ' ' THR . 8.7 ptm180 -81.82 -40.2 22.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.52 HG23 ' H ' ' B' ' 15' ' ' GLU . 1.6 t -124.56 157.97 34.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -55.95 -36.48 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -36.56 84.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.616 ' HB3' ' HB1' ' B' ' 10' ' ' ALA . 29.6 mm-40 -63.43 -35.22 79.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.992 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -68.35 -38.25 81.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -70.07 -36.68 75.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -59.55 -31.89 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.595 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 20.0 m-85 -90.41 -41.14 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.26 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -54.19 -41.99 69.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.744 HD13 ' CG1' ' A' ' 26' ' ' VAL . 22.5 mt -69.59 -49.13 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -53.77 -39.27 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.1 mt -61.29 -42.69 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -66.0 -42.03 90.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.757 ' CG1' HD13 ' A' ' 22' ' ' ILE . 16.5 t -64.34 -41.08 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.0 m-85 -67.36 -41.07 85.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.5 93.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.22 -18.78 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 29.3 mt -91.3 -1.54 57.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.67 11.72 67.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.612 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 15.9 m-85 -94.61 34.4 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.379 . . . . 0.0 110.921 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -50.24 161.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 71.06 57.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.449 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -88.9 145.43 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -125.11 124.83 42.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.63 136.08 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.8 p -130.51 114.9 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' TRP . . . . . 0.45 ' HB3' HG12 ' B' ' 44' ' ' VAL . 59.7 p-90 -110.57 142.48 42.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -141.93 100.16 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.819 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.83 -86.7 1.4 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.18 21.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -126.09 131.99 52.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.194 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.992 HG21 ' HB1' ' B' ' 16' ' ' ALA . 3.8 m -113.38 128.74 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.0 m -129.01 126.95 40.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.3 139.11 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -124.21 121.88 36.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.75 166.86 21.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -146.96 141.18 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.612 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER -108.09 139.44 42.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.415 ' H ' HD23 ' B' ' 50' ' ' LEU . 0.0 OUTLIER -114.2 -32.03 6.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.33 83.54 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.31 -148.17 4.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 6.7 m 63.14 101.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.52 86.75 5.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.55 147.77 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.45 107.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -110.93 139.57 46.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.803 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 60.0 t -132.06 125.31 54.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -130.11 124.22 32.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.661 HG23 HG22 ' B' ' 8' ' ' ILE . 70.5 mt -121.81 125.39 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.91 126.11 54.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.691 HG22 HG23 ' B' ' 6' ' ' ILE . 10.4 pt -110.85 135.39 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.719 HG23 HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -117.41 93.23 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.88 169.04 9.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -70.57 -53.81 14.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 15' ' ' GLU . 1.9 t -108.98 158.62 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -63.92 -40.45 96.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.82 -33.56 68.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' H ' HG23 ' A' ' 12' ' ' THR . 12.3 mm-40 -67.11 -52.06 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -60.1 -40.33 89.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -39.93 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -62.7 -32.47 73.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.768 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 28.4 m-85 -76.07 -43.9 41.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.22 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.45 -45.35 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.761 HD13 ' CG1' ' B' ' 26' ' ' VAL . 22.2 mt -69.75 -49.19 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.3 mm? -52.61 -41.15 63.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.1 mt -58.92 -42.9 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -66.04 -42.24 89.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' B' ' 22' ' ' ILE . 19.4 t -64.41 -40.63 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.557 ' CE2' HD12 ' A' ' 23' ' ' LEU . 8.7 m-85 -67.38 -42.39 83.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.54 87.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -18.64 64.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.482 ' CD1' HG12 ' A' ' 26' ' ' VAL . 21.9 mt -90.89 -3.21 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.85 13.26 64.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.567 ' CE1' HD13 ' A' ' 50' ' ' LEU . 13.4 m-85 -94.35 35.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.933 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -49.42 161.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t0 70.67 58.92 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -89.56 149.03 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -128.35 121.83 30.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.07 136.31 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 p -130.92 114.03 14.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.644 ' HB3' HG12 ' A' ' 44' ' ' VAL . 61.0 p-90 -104.27 142.48 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -141.87 99.98 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.47 -82.49 1.43 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -149.8 19.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.719 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -126.12 132.08 51.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.671 HG23 HG12 ' A' ' 8' ' ' ILE . 4.5 m -111.5 134.14 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.4 m -129.48 123.8 32.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.59 137.95 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -124.97 117.79 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.35 150.77 19.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.2 156.24 38.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.368 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.567 HD13 ' CE1' ' A' ' 32' ' ' TYR . 22.7 tp -116.11 141.27 48.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -119.77 -32.67 4.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.43 118.53 3.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.95 -157.52 14.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 m -151.02 132.5 14.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 55' ' ' LEU . 4.0 mm? -98.12 76.1 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -46.24 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.81 -77.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -111.35 147.14 35.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.768 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 48.0 t -125.14 125.32 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -130.28 118.88 21.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.691 HG23 HG22 ' A' ' 8' ' ' ILE . 61.1 mt -117.6 125.37 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.59 118.23 36.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.661 HG22 HG23 ' A' ' 6' ' ' ILE . 14.7 pt -110.32 135.26 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.3 124.98 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' B' ' 15' ' ' GLU . . . -133.04 169.25 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -72.95 -68.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -105.3 168.4 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -58.83 -39.64 81.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -38.82 81.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.604 ' HB3' ' HB1' ' B' ' 10' ' ' ALA . 11.0 mm-40 -65.88 -52.2 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.956 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -62.66 -42.42 99.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.94 -39.62 78.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -59.67 -38.99 82.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.803 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 23.9 m-85 -73.66 -45.89 49.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.05 74.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -54.59 -43.87 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' A' ' 26' ' ' VAL . 20.8 mt -68.42 -48.85 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.719 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -53.2 -39.0 63.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.867 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.3 mt -61.23 -42.67 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -66.01 -42.17 90.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.761 ' CG1' HD13 ' A' ' 22' ' ' ILE . 17.0 t -64.44 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.719 ' CE2' HD12 ' B' ' 23' ' ' LEU . 9.7 m-85 -67.69 -41.69 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.15 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -18.62 64.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -92.56 -1.77 56.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 12.27 66.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.633 ' CG ' HD23 ' B' ' 50' ' ' LEU . 18.7 m-85 -94.1 35.84 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.379 . . . . 0.0 110.914 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -50.17 160.51 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 9.3 t70 67.7 68.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -95.47 148.29 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -123.74 122.67 38.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -104.26 136.15 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 62.0 p -134.15 120.61 20.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 -104.44 125.21 50.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -142.05 100.03 3.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.01 44.23 4.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.5 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 58.7 24.14 11.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -117.13 131.98 56.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.956 HG21 ' HB1' ' B' ' 16' ' ' ALA . 63.7 t -93.6 131.26 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m -141.51 126.29 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -105.57 137.68 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -125.13 128.51 48.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.92 170.96 19.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.59 145.96 37.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 0.0 110.975 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.633 HD23 ' CG ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER -134.26 127.66 32.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.53 -34.04 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -144.66 144.29 13.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.509 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.06 -91.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.89 117.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.836 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.65 -45.32 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -173.98 -169.99 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -179.25 131.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 51.0 t60 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -100.96 147.06 26.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.789 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 41.4 t -126.74 124.86 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -130.26 130.53 44.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.585 HG23 HG22 ' B' ' 8' ' ' ILE . 68.7 mt -125.17 125.5 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.51 125.31 53.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.702 HG22 HG23 ' B' ' 6' ' ' ILE . 9.9 pt -110.84 135.38 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.88 102.39 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -112.24 168.96 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -69.55 -54.46 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 15' ' ' GLU . 10.0 t -118.33 165.19 14.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -43.32 94.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -34.59 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.596 ' H ' HG23 ' A' ' 12' ' ' THR . 20.4 mm-40 -66.51 -52.16 48.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.658 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -64.11 -39.14 93.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -39.87 79.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -59.81 -32.46 70.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -80.83 -39.2 26.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.31 76.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -53.05 -45.34 68.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.758 HD13 ' CG1' ' B' ' 26' ' ' VAL . 17.7 mt -67.71 -49.27 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -52.67 -40.08 62.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.6 mt -60.09 -43.73 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -64.89 -42.16 95.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.753 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.4 t -65.09 -40.29 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.0 m-85 -68.87 -42.51 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.21 -45.59 92.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -18.52 63.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.7 mt -91.75 2.52 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.85 6.83 75.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.631 ' CE1' HD13 ' A' ' 50' ' ' LEU . 19.2 m-85 -94.8 31.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -48.73 161.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 t0 68.3 64.11 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -92.07 149.13 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -122.42 124.82 44.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.26 135.29 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 p -130.77 114.11 14.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.637 ' HB3' HG12 ' A' ' 44' ' ' VAL . 65.7 p-90 -108.85 141.3 41.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -141.92 100.25 3.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.87 -82.55 1.2 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.17 19.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.1 132.12 51.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.658 HG21 ' HB1' ' A' ' 16' ' ' ALA . 4.6 m -111.44 132.03 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.9 m -129.99 126.77 38.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -91.22 138.5 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -126.65 122.34 34.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.86 168.21 20.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.34 156.55 48.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.631 HD13 ' CE1' ' A' ' 32' ' ' TYR . 15.2 tp -121.56 144.89 48.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -115.87 -31.99 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.49 162.91 22.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.53 -20.9 44.73 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.439 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 m -140.34 156.42 46.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.54 -32.2 9.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.53 -176.48 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.24 114.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -98.73 147.13 25.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 88.5 t -130.96 130.42 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 -130.26 122.74 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.702 HG23 HG22 ' A' ' 8' ' ' ILE . 68.1 mt -125.37 125.13 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 2.7 t -114.92 130.7 56.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.672 HG12 HG23 ' B' ' 44' ' ' VAL . 8.6 pt -112.12 135.36 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.04 95.07 5.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.18 169.01 8.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -76.6 -57.74 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.462 HG23 ' H ' ' B' ' 15' ' ' GLU . 2.5 t -108.52 159.21 16.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -37.72 86.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -38.04 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.462 ' H ' HG23 ' B' ' 12' ' ' THR . 3.4 mm-40 -67.06 -52.11 46.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.687 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -59.99 -39.71 86.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -57.86 -39.94 78.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -62.74 -34.98 78.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.789 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 38.6 m-85 -73.07 -44.61 60.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.71 76.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.661 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.74 -46.13 63.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.753 HD13 ' CG1' ' A' ' 26' ' ' VAL . 12.6 mt -67.99 -49.09 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.631 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.8 OUTLIER -52.47 -39.65 61.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.661 HD12 ' HA ' ' B' ' 21' ' ' ALA . 10.8 mt -60.39 -43.14 93.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -65.51 -42.16 92.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' A' ' 22' ' ' ILE . 16.5 t -64.76 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.631 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.4 m-85 -68.4 -42.39 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.63 91.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -18.66 64.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 34.1 mt -90.99 -1.53 57.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.76 12.22 66.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.448 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.647 ' CE1' HD13 ' B' ' 50' ' ' LEU . 13.9 m-85 -94.22 35.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.907 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -49.39 161.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t70 69.3 62.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.432 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -91.4 149.07 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -129.21 122.94 30.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.8 p -99.33 135.92 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 8.1 p -131.82 132.94 44.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 46.6 p-90 -110.26 123.86 50.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -123.8 100.24 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.04 -82.71 1.61 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.512 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -153.39 21.09 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.7 m -126.17 121.91 34.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.687 HG21 ' HB1' ' B' ' 16' ' ' ALA . 15.5 m -91.26 125.74 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 4.6 m -122.13 150.94 41.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.0 136.55 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -120.2 116.74 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLY . . . . . 0.426 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.95 140.82 12.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -120.3 156.28 31.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.647 HD13 ' CE1' ' B' ' 32' ' ' TYR . 1.1 tp -122.36 119.69 31.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.49 -26.69 17.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -130.11 131.49 6.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.74 68.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' SER . . . . . 0.612 ' C ' HD13 ' B' ' 55' ' ' LEU . 0.1 OUTLIER -156.73 156.66 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.745 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.612 HD13 ' C ' ' B' ' 54' ' ' SER . 0.0 OUTLIER -155.64 32.02 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 64.43 154.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -176.67 -47.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.854 0.359 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -106.4 146.11 30.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.69 HG11 ' CE2' ' B' ' 19' ' ' PHE . 46.3 t -132.24 123.18 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.599 ' NE ' HG21 ' A' ' 45' ' ' THR . 0.1 OUTLIER -130.3 119.85 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.602 HD12 HD11 ' A' ' 23' ' ' LEU . 28.4 mt -114.59 125.82 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.89 127.87 55.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.653 HG22 HG23 ' B' ' 6' ' ' ILE . 7.8 pt -115.04 135.17 55.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.448 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -115.18 95.22 5.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.42 169.12 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -76.18 -50.75 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 15' ' ' GLU . 1.8 t -109.39 158.54 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.77 -34.3 77.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -41.53 82.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.425 ' H ' HG23 ' A' ' 12' ' ' THR . 0.2 OUTLIER -62.93 -34.65 77.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.76 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -68.37 -38.07 81.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -68.38 -37.0 80.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -62.36 -40.66 97.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.757 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 42.4 m-85 -73.84 -45.39 51.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.36 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.499 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.52 -47.88 63.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.751 HD13 ' CG1' ' B' ' 26' ' ' VAL . 12.7 mt -67.85 -49.3 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.602 HD11 HD12 ' A' ' 6' ' ' ILE . 1.2 mm? -53.21 -41.49 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 21' ' ' ALA . 13.8 mt -58.78 -44.27 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -64.32 -42.05 96.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.743 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.8 t -65.31 -40.38 88.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.579 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.5 m-85 -67.7 -42.61 81.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.75 90.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -18.67 64.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 26' ' ' VAL . 23.0 mt -90.81 -2.8 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 12.39 65.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.597 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 15.3 m-85 -94.83 35.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 110.95 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -50.11 161.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t70 70.86 58.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.473 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -88.51 148.93 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -126.59 123.29 37.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -101.24 135.82 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.1 p -131.25 127.7 38.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 -104.91 121.5 43.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -142.19 123.39 14.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.86 46.26 83.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 t0 59.78 20.88 9.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.448 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -126.14 131.91 51.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.76 HG21 ' HB1' ' A' ' 16' ' ' ALA . 12.2 m -101.63 133.41 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.599 HG21 ' NE ' ' A' ' 5' ' ' ARG . 24.6 m -131.12 123.06 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -88.95 138.15 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -125.67 118.94 26.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.03 156.43 21.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.64 142.65 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.597 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -106.64 139.56 40.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.422 ' H ' HD23 ' A' ' 50' ' ' LEU . 10.4 pt-20 -117.83 -32.29 4.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.58 -116.71 0.78 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.55 -179.96 40.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.52 140.16 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.901 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -108.66 61.4 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -58.4 147.46 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.33 170.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 26.1 t60 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.864 0.364 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.51 147.08 30.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.757 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 39.7 t -130.8 129.66 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -130.66 126.17 35.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.653 HG23 HG22 ' A' ' 8' ' ' ILE . 55.7 mt -124.41 125.54 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 9.7 t -113.71 135.92 53.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.583 HG23 HG12 ' A' ' 6' ' ' ILE . 22.7 mt -110.9 135.0 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.22 74.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.03 144.53 29.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -79.47 -32.43 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.65 144.76 44.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -59.53 -30.91 68.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.941 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -41.66 89.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -42.56 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.488 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -68.05 -37.54 81.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -69.48 -37.08 77.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -68.13 -36.02 79.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.69 ' CE2' HG11 ' A' ' 4' ' ' VAL . 16.4 m-85 -77.52 -41.6 38.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.66 -42.97 75.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -54.39 -44.79 72.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.743 HD13 ' CG1' ' A' ' 26' ' ' VAL . 11.6 mt -67.26 -49.09 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.578 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.0 OUTLIER -53.19 -39.52 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.2 mt -60.96 -43.96 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.165 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.58 -42.24 95.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.751 ' CG1' HD13 ' A' ' 22' ' ' ILE . 13.8 t -65.12 -40.08 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.578 ' CE2' HD12 ' B' ' 23' ' ' LEU . 5.6 m-85 -70.47 -40.8 73.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.41 94.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -18.43 64.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 33.1 mt -92.54 -2.5 56.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.7 13.82 64.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.693 ' CE1' HD13 ' B' ' 50' ' ' LEU . 11.9 m-85 -93.63 34.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -50.16 161.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 t0 70.87 60.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.436 HD11 ' HA3' ' B' ' 48' ' ' GLY . 0.6 OUTLIER -91.72 144.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -121.18 123.62 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.06 136.57 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 77.7 p -139.15 114.01 9.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.166 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -95.49 125.18 39.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -142.12 115.45 8.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.17 48.86 36.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.96 20.24 9.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.866 0.365 . . . . 0.0 110.817 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' THR . . . . . 0.478 HG23 ' O ' ' B' ' 8' ' ' ILE . 4.7 m -126.14 121.5 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.488 HG11 ' HB1' ' B' ' 16' ' ' ALA . 11.9 p -89.22 126.82 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -121.0 119.87 33.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' VAL . . . . . 0.416 HG12 ' HB ' ' B' ' 6' ' ' ILE . 9.5 p -95.76 137.56 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -120.67 115.16 22.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLY . . . . . 0.436 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -129.0 140.95 12.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.472 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -120.48 146.6 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.693 HD13 ' CE1' ' B' ' 32' ' ' TYR . 20.0 tp -96.51 151.0 19.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -106.48 32.22 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -111.44 29.6 8.55 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.25 -57.02 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.52 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.27 136.31 27.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -94.03 75.76 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -72.19 -169.97 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.35 158.54 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 25.8 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -92.75 143.17 26.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.15 128.06 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -130.13 127.71 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.695 HG23 HG22 ' B' ' 8' ' ' ILE . 58.8 mt -125.46 129.74 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.18 135.72 53.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.584 HG23 HG12 ' B' ' 6' ' ' ILE . 26.6 mt -110.48 135.56 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -102.23 73.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.83 167.5 10.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -67.89 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 15' ' ' GLU . 8.7 t -97.82 164.36 12.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -66.14 -29.19 69.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -43.51 92.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' H ' HG23 ' A' ' 12' ' ' THR . 0.2 OUTLIER -65.32 -52.15 55.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.758 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -60.19 -38.82 84.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.056 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.0 -40.53 95.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -59.93 -33.75 72.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -81.42 -39.45 24.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.34 -45.25 80.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.71 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.46 -48.31 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.755 HD13 ' CG1' ' B' ' 26' ' ' VAL . 7.3 mt -66.7 -47.97 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD11 HD12 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -51.88 -40.44 60.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 21' ' ' ALA . 9.6 mt -59.48 -44.69 93.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -64.45 -42.13 96.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.754 ' CG1' HD13 ' B' ' 22' ' ' ILE . 14.3 t -65.32 -39.9 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.536 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.1 m-85 -70.22 -42.64 72.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.73 96.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -18.22 64.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 26' ' ' VAL . 4.6 mt -94.03 3.05 55.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 7.1 75.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.618 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 22.2 m-85 -94.58 27.51 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -47.05 160.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 t0 68.71 61.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.517 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -90.36 149.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -120.14 122.65 41.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -101.46 137.11 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.9 p -135.64 113.69 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -97.02 134.92 39.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -136.11 99.81 4.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.75 -84.42 1.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.75 18.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -126.73 121.91 33.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.758 HG11 ' HB1' ' A' ' 16' ' ' ALA . 8.1 p -92.71 136.53 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.0 m -129.7 136.35 49.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -112.08 134.82 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -122.59 123.14 40.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.68 165.11 21.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -137.69 147.28 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.618 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -117.14 138.09 51.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -119.78 -34.01 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.27 154.01 6.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.75 -131.24 31.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -163.1 -40.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.378 . . . . 0.0 110.885 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.36 26.25 8.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -58.72 -38.72 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.3 t60 50.2 -168.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.844 0.354 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -92.62 129.44 38.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 48.0 t -107.93 122.45 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.12 121.07 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.616 HD12 HD11 ' B' ' 23' ' ' LEU . 33.2 mt -117.29 125.65 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.9 125.37 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.695 HG22 HG23 ' A' ' 6' ' ' ILE . 8.1 pt -112.77 135.4 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.67 96.47 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.178 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.03 169.09 8.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.562 ' HG3' HG22 ' B' ' 12' ' ' THR . 37.0 ptt180 -70.96 -41.86 70.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.562 HG22 ' HG3' ' B' ' 11' ' ' ARG . 3.4 t -130.69 160.22 34.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -60.31 -39.68 87.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -57.91 -38.2 75.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLU . . . . . 0.541 ' H ' HG23 ' B' ' 12' ' ' THR . 1.5 mm-40 -66.99 -52.14 46.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.683 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -59.58 -40.1 86.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -39.85 78.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -62.4 -32.25 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -77.96 -40.07 40.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.73 -44.34 77.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.666 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.62 -45.96 63.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.754 HD13 ' CG1' ' A' ' 26' ' ' VAL . 14.4 mt -67.56 -49.21 72.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.616 HD11 HD12 ' B' ' 6' ' ' ILE . 0.6 OUTLIER -53.37 -39.38 64.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' B' ' 21' ' ' ALA . 11.1 mt -60.97 -42.75 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.05 -42.22 89.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.755 ' CG1' HD13 ' A' ' 22' ' ' ILE . 15.5 t -64.64 -40.94 90.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.589 ' CE2' HD12 ' B' ' 23' ' ' LEU . 4.5 m-85 -68.9 -41.78 77.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.02 96.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.99 -18.55 64.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.3 mt -92.77 2.26 56.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 7.86 74.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.611 ' CG ' HD23 ' B' ' 50' ' ' LEU . 25.1 m-85 -94.6 30.6 1.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -50.76 161.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 69.99 54.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.502 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -83.72 149.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -123.49 126.47 46.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -100.52 135.26 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.0 p -130.11 117.24 19.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -104.19 144.05 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -141.96 100.4 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.59 -81.82 1.67 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.87 19.81 0.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.09 131.86 52.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.683 HG11 ' HB1' ' B' ' 16' ' ' ALA . 2.9 p -106.13 132.62 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -130.79 125.03 32.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -89.47 138.1 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.77 129.51 45.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.89 170.94 19.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -136.64 141.19 43.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.611 HD23 ' CG ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER -126.53 132.21 51.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.458 ' N ' HD13 ' B' ' 50' ' ' LEU . 0.1 OUTLIER -92.16 44.4 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.02 156.1 33.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.543 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.42 44.44 95.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.469 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -153.48 -65.22 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mp 64.46 -80.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.41 -77.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 50.67 40.28 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 130.7 43.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.652 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 50.1 t -129.35 124.77 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.4 128.59 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.63 HD12 HD11 ' A' ' 23' ' ' LEU . 24.3 mt -125.21 132.14 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.7 t -115.13 129.75 56.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.694 HG22 HG23 ' B' ' 6' ' ' ILE . 7.5 pt -115.28 135.39 55.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.34 101.07 9.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . . . -110.58 169.01 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -68.81 -57.2 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.5 t -116.48 159.19 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -57.49 -37.58 73.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -58.02 -39.79 79.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' H ' HG23 ' A' ' 12' ' ' THR . 0.3 OUTLIER -67.05 -52.04 47.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.544 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -60.41 -39.77 88.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -57.95 -39.84 79.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -61.13 -33.92 74.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 27.5 m-85 -76.56 -42.25 43.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.84 -44.45 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.678 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -52.19 -46.35 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.751 HD13 ' CG1' ' B' ' 26' ' ' VAL . 14.7 mt -66.61 -49.19 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.63 HD11 HD12 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -52.99 -39.39 63.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.4 mt -60.78 -43.01 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -66.03 -42.06 90.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.745 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.0 t -64.87 -40.43 89.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.602 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.7 m-85 -67.9 -40.97 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.99 90.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.067 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -18.61 63.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.0 mt -90.92 -0.19 57.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 7.71 74.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.609 ' CG ' HD23 ' A' ' 50' ' ' LEU . 34.6 m-85 -94.19 35.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.915 0.388 . . . . 0.0 110.936 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -50.95 161.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t0 69.8 63.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.49 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -93.5 145.71 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -123.02 123.98 42.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.2 p -94.88 134.14 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.3 p -132.35 132.32 42.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -107.6 123.36 48.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -142.0 99.93 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.69 41.33 6.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.54 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.74 20.89 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.4 m -126.13 121.68 33.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.656 HG23 HG12 ' A' ' 8' ' ' ILE . 15.6 m -88.86 121.68 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.2 m -121.27 127.74 51.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -90.88 135.7 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -117.88 119.5 35.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.24 147.05 17.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.93 162.07 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.609 HD23 ' CG ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -134.08 121.76 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.79 -32.83 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.59 -70.36 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.8 -99.38 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.506 ' C ' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER 62.24 166.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.731 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.506 HD22 ' C ' ' A' ' 54' ' ' SER . 4.2 mm? -120.7 51.75 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 64.49 154.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -168.03 179.25 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -104.16 147.07 27.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' VAL . . . . . 0.571 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 56.9 t -126.47 126.38 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -130.29 128.78 42.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.694 HG23 HG22 ' A' ' 8' ' ' ILE . 55.9 mt -125.18 125.78 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.87 136.45 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ILE . . . . . 0.573 HG23 HG12 ' A' ' 6' ' ' ILE . 28.8 mt -110.54 135.43 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.37 73.64 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.58 149.32 23.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -77.12 -40.65 44.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.01 146.12 40.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -29.86 70.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -43.24 86.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -52.17 45.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ALA . . . . . 0.701 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -58.48 -39.64 80.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.87 -40.79 85.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -64.91 -38.5 91.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.652 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 56.1 m-85 -70.67 -44.05 67.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.98 -45.41 78.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.078 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.72 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.65 -47.96 63.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.745 HD13 ' CG1' ' A' ' 26' ' ' VAL . 6.7 mt -66.76 -48.32 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -51.45 -39.83 58.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' B' ' 21' ' ' ALA . 9.9 mt -60.07 -44.07 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.76 -42.08 95.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.751 ' CG1' HD13 ' A' ' 22' ' ' ILE . 15.7 t -64.69 -40.4 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' B' ' 23' ' ' LEU . 8.0 m-85 -69.28 -42.7 75.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.56 92.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -18.5 64.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 36.3 mt -90.54 -10.44 43.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.14 11.74 53.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' TYR . . . . . 0.601 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 18.7 m-85 -94.27 36.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.908 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -49.39 161.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t0 70.88 59.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.478 HD11 ' HA3' ' B' ' 48' ' ' GLY . 0.7 OUTLIER -90.79 148.99 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -129.1 122.17 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.66 137.01 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -133.86 113.94 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -97.29 139.2 33.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -141.92 99.89 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.71 -86.09 1.51 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.31 17.28 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.19 121.87 34.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' VAL . . . . . 0.701 HG21 ' HB1' ' B' ' 16' ' ' ALA . 33.3 m -100.56 131.79 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 29.1 m -123.76 136.33 54.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -111.72 137.27 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -120.12 116.06 24.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLY . . . . . 0.478 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.66 142.99 14.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.36 149.62 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.601 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER -111.67 140.52 46.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.407 ' H ' HD23 ' B' ' 50' ' ' LEU . 16.3 pt-20 -120.54 -36.28 3.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.73 171.51 35.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.25 -158.74 14.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 6.0 m -160.05 165.97 30.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 0.0 110.832 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -104.37 -47.75 4.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -128.96 147.67 50.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.16 166.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.849 0.357 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.737 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 52.7 t -112.06 124.8 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.11 130.51 44.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.646 HG23 HG22 ' B' ' 8' ' ' ILE . 68.2 mt -125.03 125.5 69.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.58 124.28 51.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.679 HG22 HG23 ' B' ' 6' ' ' ILE . 9.7 pt -110.87 135.44 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.45 102.43 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -110.66 168.81 9.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -68.98 -54.79 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 15' ' ' GLU . 5.2 t -117.45 161.75 19.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -57.89 -41.35 82.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -35.7 73.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.545 ' H ' HG23 ' A' ' 12' ' ' THR . 0.9 OUTLIER -66.6 -52.17 48.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.723 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -61.85 -41.34 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.93 -39.69 78.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -59.7 -32.15 70.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -81.45 -39.03 25.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.13 76.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.638 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -53.5 -44.18 68.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.737 HD13 ' CG1' ' B' ' 26' ' ' VAL . 20.3 mt -68.31 -49.35 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.559 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -53.27 -39.04 63.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.2 mt -61.2 -42.7 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -65.8 -42.24 90.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' B' ' 22' ' ' ILE . 17.2 t -64.37 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.559 ' CE2' HD12 ' A' ' 23' ' ' LEU . 6.4 m-85 -66.91 -42.45 85.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.94 90.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -18.85 63.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.485 ' CD1' HG12 ' A' ' 26' ' ' VAL . 20.4 mt -89.53 -8.03 53.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.26 7.55 58.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.497 ' OH ' HD12 ' A' ' 50' ' ' LEU . 25.1 m-85 -94.29 35.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.949 0.405 . . . . 0.0 110.984 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.89 161.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 68.75 62.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -91.07 149.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -125.34 123.51 39.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 p -99.57 135.96 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.8 p -130.71 114.2 15.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.458 ' HB3' HG12 ' A' ' 44' ' ' VAL . 66.5 p-90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.86 0.362 . . . . 0.0 111.168 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.723 HG21 ' HB1' ' A' ' 16' ' ' ALA . 4.6 m -111.64 130.27 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.3 m -129.67 126.02 37.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -90.78 138.24 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -124.45 121.07 33.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.86 163.36 22.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.33 160.5 34.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.497 HD12 ' OH ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.864 0.364 . . . . 0.0 110.85 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 76.4 t -116.67 128.49 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.551 ' NE ' HG21 ' B' ' 45' ' ' THR . 11.1 ttt-85 -130.36 126.52 37.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.679 HG23 HG22 ' A' ' 8' ' ' ILE . 67.9 mt -124.98 125.49 69.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.36 125.65 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.664 HG12 HG23 ' B' ' 44' ' ' VAL . 10.4 pt -110.8 135.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.77 95.31 5.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' B' ' 15' ' ' GLU . . . -104.96 168.77 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.083 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -57.14 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.503 HG23 ' H ' ' B' ' 15' ' ' GLU . 10.6 t -119.75 167.71 11.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -40.6 88.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -37.88 75.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.56 ' HB3' ' HB1' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -66.73 -52.0 49.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.586 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -62.04 -38.36 88.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -39.88 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -60.95 -34.04 74.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.737 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 35.3 m-85 -76.79 -42.03 42.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.75 -44.15 77.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.783 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.32 -47.7 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' A' ' 26' ' ' VAL . 12.1 mt -66.42 -49.1 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.554 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.0 OUTLIER -52.78 -38.62 61.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.7 mt -58.2 -46.6 88.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -64.34 -47.55 78.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.737 ' CG1' HD13 ' A' ' 22' ' ' ILE . 20.2 t -57.11 -40.32 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.554 ' CE2' HD12 ' B' ' 23' ' ' LEU . 5.3 m-85 -71.89 -42.53 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.32 93.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -18.45 64.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 34.4 mt -91.65 -0.92 57.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.16 11.43 67.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.601 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 18.2 m-85 -94.81 34.68 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.911 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -50.72 161.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.6 58.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.461 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -88.22 148.84 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -125.92 124.25 40.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.86 135.43 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 19.6 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.982 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.664 HG23 HG12 ' B' ' 8' ' ' ILE . 4.4 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.912 0.387 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . 0.551 HG21 ' NE ' ' B' ' 5' ' ' ARG . 22.9 m -128.27 125.31 38.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -91.25 138.74 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -125.44 119.86 29.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.98 157.99 21.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.483 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.6 pm0 -135.31 141.05 45.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.601 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.805 0.336 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.494 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 61.4 t -132.1 126.53 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -130.23 129.79 43.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.695 HG23 HG22 ' B' ' 8' ' ' ILE . 66.6 mt -125.09 125.39 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.2 125.83 54.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.682 HG12 HG23 ' A' ' 44' ' ' VAL . 10.4 pt -110.86 135.42 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.43 94.96 5.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.42 169.09 8.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.05 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -68.89 -56.4 8.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.451 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.6 t -113.3 159.31 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -59.07 -40.91 86.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -57.92 -34.87 70.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.451 ' H ' HG23 ' A' ' 12' ' ' THR . 14.6 mt-10 -67.04 -52.04 47.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.634 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -60.82 -41.65 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.98 -39.83 79.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -59.95 -32.55 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -80.46 -38.66 29.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.55 73.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -54.38 -44.56 72.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.748 HD13 ' CG1' ' B' ' 26' ' ' VAL . 17.8 mt -68.37 -49.12 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.553 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.1 mm? -52.38 -40.3 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.3 mt -59.73 -43.46 91.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -65.09 -42.15 94.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.757 ' CG1' HD13 ' B' ' 22' ' ' ILE . 18.4 t -64.52 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.7 m-85 -68.42 -42.5 78.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.84 90.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -18.66 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.1 mt -90.72 -1.76 57.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.95 11.3 67.94 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.787 ' CE1' HD13 ' A' ' 50' ' ' LEU . 17.0 m-85 -94.84 35.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -50.27 161.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 71.02 58.83 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.494 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -90.1 149.05 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.91 125.26 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -100.36 136.23 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 p -131.7 114.27 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.56 ' HB3' HG12 ' A' ' 44' ' ' VAL . 67.0 p-90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.844 0.354 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.682 HG23 HG12 ' A' ' 8' ' ' ILE . 4.2 m -111.64 132.2 60.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.2 m -130.02 125.03 34.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -90.37 138.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -124.61 120.31 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.54 161.96 23.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.432 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.6 pm0 -139.72 140.63 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.787 HD13 ' CE1' ' A' ' 32' ' ' TYR . 15.4 tp . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.874 0.369 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 49.9 t -123.73 124.38 69.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.11 130.45 44.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.653 HG23 HG22 ' A' ' 8' ' ' ILE . 72.4 mt -125.24 125.89 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.76 124.83 51.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.695 HG22 HG23 ' A' ' 6' ' ' ILE . 9.4 pt -110.79 135.26 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.34 94.87 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.592 ' HB1' ' HB3' ' B' ' 15' ' ' GLU . . . -104.7 169.25 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.94 -65.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.445 HG23 ' H ' ' B' ' 15' ' ' GLU . 10.9 t -99.36 179.76 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -74.1 -37.34 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -61.02 -33.04 72.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.592 ' HB3' ' HB1' ' B' ' 10' ' ' ALA . 1.1 mm-40 -64.89 -52.12 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.641 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -62.01 -40.92 97.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -64.11 -39.66 94.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -59.7 -46.14 89.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.494 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 18.8 m-85 -69.81 -38.21 76.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.94 76.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.674 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.56 -45.9 63.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.757 HD13 ' CG1' ' A' ' 26' ' ' VAL . 19.0 mt -68.03 -49.19 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.553 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -52.81 -39.42 62.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' B' ' 21' ' ' ALA . 11.1 mt -60.46 -42.84 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -66.12 -42.1 89.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.748 ' CG1' HD13 ' A' ' 22' ' ' ILE . 16.0 t -65.02 -40.16 88.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.573 ' HB3' HD13 ' B' ' 35' ' ' ILE . 4.0 m-85 -69.92 -42.34 73.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.63 92.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -18.47 63.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.642 HD12 ' O ' ' B' ' 26' ' ' VAL . 2.1 mt -91.92 3.67 54.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.88 4.62 78.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.504 ' OH ' HD12 ' B' ' 50' ' ' LEU . 29.3 m-85 -94.6 30.73 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -50.65 161.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t70 70.09 56.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.573 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -87.29 149.17 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -123.82 126.17 45.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -95.37 134.59 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 72.6 p . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.641 HG21 ' HB1' ' B' ' 16' ' ' ALA . 15.9 m . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.883 0.373 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 10.9 m -128.88 125.23 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -88.52 137.2 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.77 126.21 41.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.78 170.93 19.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -137.27 141.45 41.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.343 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.504 HD12 ' OH ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.857 0.36 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.74 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 30.2 t -130.82 121.85 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -130.11 124.75 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.607 HG23 HG22 ' B' ' 8' ' ' ILE . 67.2 mt -121.83 125.14 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.443 ' CB ' HG23 ' A' ' 45' ' ' THR . 0.7 OUTLIER -114.02 129.63 56.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.658 HG22 HG23 ' B' ' 6' ' ' ILE . 8.6 pt -113.63 135.31 53.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.428 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -115.77 94.8 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.62 169.08 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -32.32 57.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -132.42 157.8 43.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -65.06 -32.23 73.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -43.15 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.05 -42.41 84.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.555 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -63.54 -43.57 96.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -39.94 79.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -63.84 -34.34 77.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.782 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 42.3 m-85 -74.3 -45.79 45.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -45.12 77.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.24 -46.87 62.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.736 HD13 ' CG1' ' B' ' 26' ' ' VAL . 14.4 mt -67.49 -49.22 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.498 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.5 mm? -53.66 -39.5 65.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.1 mt -60.8 -42.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -66.06 -42.1 89.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' B' ' 22' ' ' ILE . 16.7 t -64.69 -40.35 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' HD12 ' A' ' 23' ' ' LEU . 8.0 m-85 -69.52 -42.42 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.61 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.02 -18.51 64.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.1 mt -91.21 -2.27 57.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.7 13.11 65.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.667 ' CG ' HD23 ' A' ' 50' ' ' LEU . 12.5 m-85 -93.9 34.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 110.93 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -50.13 161.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t0 70.23 57.8 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -89.05 149.0 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -123.49 122.98 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -104.26 136.97 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.3 p -132.89 128.88 37.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.428 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.864 0.364 . . . . 0.0 111.111 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.61 HG13 HG12 ' A' ' 8' ' ' ILE . 3.9 p -99.56 134.1 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.443 HG23 ' CB ' ' A' ' 7' ' ' SER . 7.1 m -132.47 128.0 36.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -93.26 138.0 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -127.48 126.04 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.94 167.31 21.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -138.7 141.01 38.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.667 HD23 ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.828 0.347 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.782 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 39.7 t -131.66 127.09 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -130.33 122.74 28.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.658 HG23 HG22 ' A' ' 8' ' ' ILE . 62.7 mt -119.03 125.28 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.21 124.37 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.647 HG12 HG13 ' B' ' 44' ' ' VAL . 9.7 pt -110.83 135.59 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.08 105.33 15.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' B' ' 16' ' ' ALA . . . -111.48 168.97 9.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.565 ' HG3' HG22 ' B' ' 12' ' ' THR . 15.8 ptm180 -83.99 -39.96 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.581 HG23 ' H ' ' B' ' 15' ' ' GLU . 2.6 t -130.77 159.2 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -56.29 -39.13 72.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -38.1 87.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.581 ' H ' HG23 ' B' ' 12' ' ' THR . 2.1 mm-40 -67.1 -52.07 46.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.642 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -60.78 -40.56 93.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -39.8 79.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -59.9 -40.13 87.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.74 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 33.0 m-85 -71.44 -42.85 67.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.69 -44.19 77.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.627 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -53.5 -42.36 67.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' A' ' 26' ' ' VAL . 21.1 mt -69.31 -49.33 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.599 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.8 OUTLIER -54.3 -39.0 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.5 mt -61.93 -42.58 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -65.88 -42.06 90.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.736 ' CG1' HD13 ' A' ' 22' ' ' ILE . 15.4 t -64.49 -41.15 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.599 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.8 m-85 -68.01 -41.93 81.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.4 94.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.94 -18.8 64.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 27.4 mt -91.63 -2.55 57.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.62 14.18 63.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.636 ' CD1' HD23 ' B' ' 50' ' ' LEU . 12.6 m-85 -93.84 34.9 1.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.92 0.39 . . . . 0.0 110.97 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.485 ' H ' ' ND2' ' B' ' 33' ' ' ASN . 0.6 OUTLIER -50.13 162.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 71.55 57.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.87 149.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -131.62 127.81 37.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 14.7 p -100.26 136.89 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.5 p . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.647 HG13 HG12 ' B' ' 8' ' ' ILE . 3.3 p . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.917 0.389 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.6 m -128.89 127.91 42.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.407 HG12 ' HB ' ' B' ' 6' ' ' ILE . 9.7 p -91.62 139.51 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -126.82 126.67 43.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.79 165.06 21.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -135.59 131.13 35.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.636 HD23 ' CD1' ' B' ' 32' ' ' TYR . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.921 0.391 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.795 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 40.8 t -131.2 124.97 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -130.3 127.32 39.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.585 HG23 HG22 ' B' ' 8' ' ' ILE . 70.4 mt -123.25 125.4 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.32 127.16 55.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.722 HG22 HG23 ' B' ' 6' ' ' ILE . 10.3 pt -110.88 135.14 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -111.27 100.18 8.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -110.51 169.09 8.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -74.2 -56.33 5.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 15' ' ' GLU . 3.7 t -106.28 160.52 15.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -38.44 87.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -32.8 71.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.535 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 6.4 mm-40 -67.11 -38.55 85.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB1' ' CG2' ' A' ' 44' ' ' VAL . . . -68.29 -37.01 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -70.02 -36.73 75.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmpm? -59.35 -34.36 72.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 21.8 m-85 -86.73 -39.38 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.68 -42.46 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -53.95 -44.63 70.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.759 HD13 ' CG1' ' B' ' 26' ' ' VAL . 18.1 mt -67.84 -49.11 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.542 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -53.34 -39.58 64.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.2 mt -60.54 -42.8 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -65.7 -42.19 91.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.754 ' CG1' HD13 ' B' ' 22' ' ' ILE . 16.9 t -64.7 -40.34 88.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.542 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.5 m-85 -69.2 -42.43 75.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.94 90.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -18.56 63.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.5 mt -90.77 -1.3 57.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.92 11.76 67.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -94.69 35.21 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -50.16 161.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.73 59.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -91.11 149.0 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -124.75 122.71 38.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.4 136.99 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.0 p -136.87 126.73 25.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.488 ' HB3' HG12 ' A' ' 44' ' ' VAL . 53.1 p-90 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.952 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 9' ' ' THR . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.84 0.352 . . . . 0.0 111.141 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.492 ' CG2' ' HB1' ' A' ' 16' ' ' ALA . 18.4 m -96.41 136.07 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.9 m -128.41 124.49 36.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -89.59 138.32 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -126.03 117.42 23.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.9 151.41 19.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.556 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.6 pm0 -126.41 146.5 50.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.8 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.816 0.341 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.58 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 51.9 t -128.11 125.33 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.29 127.49 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.722 HG23 HG22 ' A' ' 8' ' ' ILE . 61.8 mt -124.84 125.39 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.25 126.54 55.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.666 HG12 HG23 ' B' ' 44' ' ' VAL . 10.4 pt -110.75 135.33 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.25 96.88 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.97 169.09 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.102 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -74.98 -65.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.546 HG23 ' H ' ' B' ' 15' ' ' GLU . 6.0 t -101.44 162.87 12.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -61.37 -41.32 96.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -33.88 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.546 ' H ' HG23 ' B' ' 12' ' ' THR . 23.4 mt-10 -67.04 -52.17 45.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.811 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.655 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -60.53 -41.3 94.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.85 -39.89 78.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -60.02 -34.44 73.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.795 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 38.2 m-85 -76.92 -42.98 37.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.17 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.062 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.612 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.43 -46.06 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.754 HD13 ' CG1' ' A' ' 26' ' ' VAL . 14.3 mt -68.85 -49.15 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.592 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -52.44 -40.21 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' B' ' 21' ' ' ALA . 11.8 mt -59.75 -43.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -65.12 -42.14 94.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.759 ' CG1' HD13 ' A' ' 22' ' ' ILE . 17.0 t -64.68 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.592 ' CE2' HD12 ' B' ' 23' ' ' LEU . 8.5 m-85 -68.93 -42.47 76.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.88 88.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -18.51 64.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.9 mt -90.8 -2.74 57.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.99 12.57 65.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.67 ' CE1' HD13 ' B' ' 50' ' ' LEU . 14.7 m-85 -94.69 35.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -49.8 161.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 t0 70.55 59.28 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.49 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -89.95 149.07 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.58 124.48 36.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.8 p -101.24 137.0 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.666 HG23 HG12 ' B' ' 8' ' ' ILE . 4.5 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.878 0.37 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.5 m -128.99 125.17 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -90.55 138.23 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -124.96 120.95 33.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.75 153.19 20.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.561 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.6 pm0 -124.74 156.59 37.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.353 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.67 HD13 ' CE1' ' B' ' 32' ' ' TYR . 17.4 tp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.838 0.351 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.688 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 38.8 t -128.89 123.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -130.11 125.36 34.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.573 HG12 HG23 ' B' ' 8' ' ' ILE . 28.7 mt -119.58 125.77 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.79 127.09 55.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.73 HG22 HG23 ' B' ' 6' ' ' ILE . 8.4 pt -113.24 135.34 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.04 100.96 8.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.32 159.01 16.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.51 ' HG3' HG22 ' A' ' 12' ' ' THR . 9.4 ptp180 -69.37 -25.22 64.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.51 HG22 ' HG3' ' A' ' 11' ' ' ARG . 1.7 t -139.86 149.84 43.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -56.46 -36.02 68.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.01 82.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' H ' HG23 ' A' ' 12' ' ' THR . 41.5 mt-10 -67.07 -52.21 44.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.605 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -59.84 -41.43 91.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.08 -39.9 83.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -62.21 -46.07 90.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 17.6 m-85 -64.62 -41.07 96.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.18 76.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -53.77 -44.06 69.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.754 HD13 ' CG1' ' B' ' 26' ' ' VAL . 19.8 mt -68.32 -49.14 69.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.755 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -53.53 -40.62 65.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.3 mt -59.75 -42.89 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -65.96 -42.14 90.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' B' ' 22' ' ' ILE . 18.2 t -64.55 -40.69 89.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.755 ' CE2' HD12 ' A' ' 23' ' ' LEU . 9.1 m-85 -65.97 -42.52 89.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.15 -46.11 88.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -18.83 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.442 ' CD1' HG12 ' A' ' 26' ' ' VAL . 31.3 mt -88.61 -12.01 43.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.32 11.7 51.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.536 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 17.8 m-85 -94.07 36.39 1.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.936 0.398 . . . . 0.0 110.939 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.459 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -49.04 161.54 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.893 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t70 70.31 57.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.445 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -87.82 148.97 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -130.3 121.45 26.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.5 p -101.82 136.83 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 p -129.71 123.12 30.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.816 0.341 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.649 HG23 HG12 ' A' ' 8' ' ' ILE . 5.2 m -110.07 133.05 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.2 m -130.4 123.41 29.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 6' ' ' ILE . 7.9 p -88.81 139.5 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.2 116.49 22.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.07 147.42 17.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.55 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.5 pm0 -127.41 140.75 51.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.536 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.864 0.364 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.688 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 58.3 t -132.2 125.02 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -130.32 128.17 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.73 HG23 HG22 ' A' ' 8' ' ' ILE . 54.4 mt -125.13 125.65 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.07 135.15 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.573 HG23 HG12 ' A' ' 6' ' ' ILE . 26.5 mt -110.58 135.33 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -101.35 73.53 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.73 149.07 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -78.02 -41.24 36.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.44 148.68 37.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.175 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -27.88 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -59.08 -43.3 91.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.01 -52.17 45.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.666 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -59.06 -39.32 81.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.44 -46.07 87.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -60.58 -38.29 84.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.688 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 48.9 m-85 -71.35 -45.8 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.99 -43.88 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.54 -47.59 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.758 HD13 ' CG1' ' A' ' 26' ' ' VAL . 6.9 mt -68.08 -47.45 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.635 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.4 mm? -51.81 -40.26 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' B' ' 21' ' ' ALA . 9.1 mt -59.35 -43.96 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -65.11 -42.1 94.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.754 ' CG1' HD13 ' A' ' 22' ' ' ILE . 17.0 t -64.84 -40.31 88.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.635 ' CE2' HD12 ' B' ' 23' ' ' LEU . 10.6 m-85 -68.75 -43.11 76.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.48 90.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -18.55 64.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -90.31 -12.1 38.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.27 12.16 49.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.567 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 20.1 m-85 -94.37 36.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.383 . . . . 0.0 110.92 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -49.23 161.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 70.53 58.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.467 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.8 OUTLIER -87.64 149.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -128.58 120.54 26.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -104.57 137.01 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.666 HG11 ' HB1' ' B' ' 16' ' ' ALA . 12.5 p . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.851 0.358 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 26.0 m -125.15 123.0 38.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.7 p -98.11 137.21 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -120.68 117.07 26.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . 0.429 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.88 143.37 14.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.492 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.9 pm0 -125.55 146.43 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.567 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.82 0.343 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 79.0 t -131.75 127.06 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.31 128.13 40.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.554 HD12 ' CD1' ' A' ' 23' ' ' LEU . 27.4 mt -125.09 132.09 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.93 132.98 56.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.713 ' O ' HG22 ' A' ' 43' ' ' THR . 28.7 mt -110.19 135.47 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.66 75.95 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.56 148.15 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -77.11 -41.55 41.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.05 147.08 37.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -25.61 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -43.04 98.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.91 -52.21 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.53 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -59.86 -41.22 90.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.24 -41.31 98.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -67.25 -37.36 83.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -73.58 -41.76 62.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -45.89 78.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.715 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.93 -47.13 64.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.713 HD13 ' CG1' ' B' ' 26' ' ' VAL . 8.1 mt -65.07 -49.17 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.554 ' CD1' HD12 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -53.48 -38.7 63.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.6 mt -61.71 -42.7 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.1 -42.0 89.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.72 ' CG1' HD13 ' B' ' 22' ' ' ILE . 13.5 t -65.08 -40.74 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.1 m-85 -67.97 -41.14 82.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.49 94.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.11 -18.58 63.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.5 mt -92.19 0.52 57.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 8.8 72.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -94.67 33.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.484 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -50.06 161.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t70 71.26 61.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.486 HD11 ' HA3' ' A' ' 48' ' ' GLY . 0.6 OUTLIER -93.74 148.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -137.03 132.17 33.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.02 137.43 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p -135.96 113.84 11.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.1 m95 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.838 0.351 . . . . 0.0 111.123 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.53 HG21 ' HB1' ' A' ' 16' ' ' ALA . 35.7 m -73.18 129.39 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.2 m -125.0 115.91 21.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -89.87 135.22 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -118.11 118.67 32.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.486 ' HA3' HD11 ' A' ' 35' ' ' ILE . . . -128.76 142.45 13.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.49 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.518 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.9 pm0 -122.88 142.65 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.9 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.961 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.826 0.346 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.68 127.04 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -130.27 124.34 32.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.548 HD12 HD11 ' B' ' 23' ' ' LEU . 32.0 mt -124.3 125.78 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.89 137.28 52.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.413 HG23 HG12 ' A' ' 6' ' ' ILE . 28.0 mt -110.22 135.48 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.77 74.63 1.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' B' ' 16' ' ' ALA . . . -100.52 151.68 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.029 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -74.41 -41.5 60.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.89 156.94 23.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -70.12 -26.77 64.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -42.28 99.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.21 -52.08 45.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.73 ' HB1' ' CG1' ' B' ' 44' ' ' VAL . . . -61.33 -42.46 98.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.91 -41.03 81.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -62.86 -34.91 78.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -73.9 -40.95 62.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.53 78.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.5 -47.86 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.72 HD13 ' CG1' ' A' ' 26' ' ' VAL . 5.9 mt -66.56 -48.6 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.572 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.0 OUTLIER -51.89 -40.55 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' B' ' 21' ' ' ALA . 10.0 mt -59.32 -44.75 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -64.12 -42.07 96.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.713 ' CG1' HD13 ' A' ' 22' ' ' ILE . 13.8 t -65.29 -40.26 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.572 ' CE2' HD12 ' B' ' 23' ' ' LEU . 5.7 m-85 -70.24 -42.34 72.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.59 92.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -18.57 64.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -91.37 -1.66 57.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.63 12.85 66.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.37 35.41 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -49.94 161.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.55 59.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.466 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -90.75 149.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -125.17 123.03 38.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -110.27 137.1 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.73 ' CG1' ' HB1' ' B' ' 16' ' ' ALA . 11.8 p . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.948 0.404 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 42.2 m -123.08 137.58 54.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.2 p -114.94 137.06 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -122.32 116.61 24.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . 0.439 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.99 143.98 14.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.54 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.8 pm0 -120.29 154.3 35.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.6 tp . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.842 0.353 . . . . 0.0 110.844 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.86 125.25 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -130.39 118.88 21.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.556 HD12 HD11 ' A' ' 23' ' ' LEU . 37.1 mt -115.98 125.75 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.34 126.03 54.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.737 HG22 HG23 ' B' ' 6' ' ' ILE . 8.5 pt -113.01 135.3 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.82 99.49 7.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -107.19 169.11 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -69.72 -52.04 29.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.482 HG23 ' H ' ' A' ' 15' ' ' GLU . 3.3 t -117.02 159.98 21.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -59.6 -39.92 85.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -34.41 72.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.482 ' H ' HG23 ' A' ' 12' ' ' THR . 11.3 mm-40 -67.07 -52.08 46.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.634 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -62.16 -43.11 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.06 -39.77 79.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -59.98 -33.18 71.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -80.21 -38.07 31.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.59 -44.14 76.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.632 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.82 -44.92 63.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' B' ' 26' ' ' VAL . 18.2 mt -68.35 -49.24 68.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.6 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -53.9 -39.35 65.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.7 mt -61.02 -42.61 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -65.97 -42.1 90.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.747 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.7 t -64.63 -40.68 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.9 m-85 -67.85 -42.29 81.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.87 90.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -18.81 63.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 30' ' ' LEU . 22.4 mt -90.56 -0.54 57.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 10.69 69.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.638 ' CE1' HD13 ' A' ' 50' ' ' LEU . 17.0 m-85 -94.66 34.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.898 0.38 . . . . 0.0 110.913 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -50.5 161.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 70.31 57.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.493 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -87.79 149.03 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.78 124.57 35.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -101.7 136.12 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 p -128.96 116.3 19.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.409 ' HB3' HG12 ' A' ' 44' ' ' VAL . 69.6 p-90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.81 0.338 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.649 HG23 HG12 ' A' ' 8' ' ' ILE . 5.8 m -109.81 132.58 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -129.99 122.02 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -87.82 138.29 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -126.26 120.71 30.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.23 151.65 19.95 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.532 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.8 pm0 -123.58 154.77 38.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.638 HD13 ' CE1' ' A' ' 32' ' ' TYR . 15.3 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 67.6 t -120.9 127.34 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -130.33 124.44 32.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.737 HG23 HG22 ' A' ' 8' ' ' ILE . 54.5 mt -125.21 125.72 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 3.0 t -114.06 136.8 52.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.502 HG23 HG12 ' A' ' 6' ' ' ILE . 27.0 mt -110.53 135.26 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.58 74.06 1.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.07 166.43 10.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -80.45 -71.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.449 HG23 ' H ' ' B' ' 15' ' ' GLU . 7.3 t -86.82 -172.48 4.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -86.45 -37.8 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -33.23 68.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.449 ' H ' HG23 ' B' ' 12' ' ' THR . 19.5 mt-10 -67.75 -49.39 62.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.648 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -68.44 -39.43 81.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -63.01 -36.97 85.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -62.95 -32.03 73.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -83.79 -39.49 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.84 -43.62 77.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.712 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.59 -46.86 63.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.747 HD13 ' CG1' ' A' ' 26' ' ' VAL . 7.1 mt -67.78 -48.56 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.551 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.2 mm? -51.74 -39.08 57.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' B' ' 21' ' ' ALA . 10.1 mt -60.83 -43.85 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -64.93 -42.09 94.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' A' ' 22' ' ' ILE . 14.4 t -65.09 -40.09 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.551 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.7 m-85 -70.48 -42.49 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.73 91.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -18.44 64.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -91.46 -1.43 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.72 12.36 66.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.745 ' CE1' HD13 ' B' ' 50' ' ' LEU . 13.1 m-85 -94.25 35.79 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -49.61 160.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 t0 68.52 64.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -92.5 148.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -125.84 120.21 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.8 137.05 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 71.2 p . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.648 HG11 ' HB1' ' B' ' 16' ' ' ALA . 12.3 p . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.948 0.404 . . . . 0.0 111.124 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.1 m -121.08 117.68 27.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -92.98 136.16 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -121.79 122.93 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.97 149.05 19.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.82 153.07 35.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.745 HD13 ' CE1' ' B' ' 32' ' ' TYR . 18.3 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.882 0.372 . . . . 0.0 110.849 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.0 t -131.8 124.84 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -130.32 121.47 26.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.683 HG23 HG22 ' B' ' 8' ' ' ILE . 64.0 mt -120.39 125.16 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.76 125.55 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.634 HG22 HG23 ' B' ' 6' ' ' ILE . 9.7 pt -110.91 135.62 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.539 HG23 HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -111.61 93.25 4.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.04 169.03 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -75.62 -65.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 15' ' ' GLU . 4.1 t -98.99 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -62.02 -40.75 96.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -57.86 -34.14 69.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.515 ' H ' HG23 ' A' ' 12' ' ' THR . 7.0 mm-40 -66.98 -52.04 47.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.632 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.84 -40.76 89.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -39.99 79.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -62.01 -38.59 89.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.785 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 32.2 m-85 -70.01 -45.0 68.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.26 76.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.33 -46.06 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.764 HD13 ' CG1' ' B' ' 26' ' ' VAL . 15.0 mt -69.11 -49.15 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.616 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.0 OUTLIER -52.45 -40.64 62.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.7 mt -59.07 -42.82 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -66.05 -42.07 89.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' B' ' 22' ' ' ILE . 16.7 t -64.45 -40.39 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.616 ' CE2' HD12 ' A' ' 23' ' ' LEU . 8.1 m-85 -69.63 -42.5 74.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.5 91.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.94 -18.54 64.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.1 mt -91.21 -2.35 57.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 13.45 64.6 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -94.66 34.98 1.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -49.84 161.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 70.42 56.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -86.6 149.01 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.89 124.44 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 p -101.46 137.06 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 p -130.83 116.25 17.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.539 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.846 0.355 . . . . 0.0 111.124 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.632 HG11 ' HB1' ' A' ' 16' ' ' ALA . 3.5 p -102.39 132.69 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.4 m -128.61 128.66 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.97 138.6 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -125.69 119.69 28.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.83 152.29 19.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.503 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.8 pm0 -127.31 150.88 49.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.1 tp . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.948 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.879 0.371 . . . . 0.0 110.86 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.785 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 45.0 t -131.76 125.11 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -130.41 125.62 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.634 HG23 HG22 ' A' ' 8' ' ' ILE . 68.7 mt -120.85 125.38 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.39 125.43 53.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.683 HG22 HG23 ' A' ' 6' ' ' ILE . 9.6 pt -111.44 135.45 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.31 114.45 25.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.91 169.02 12.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -75.22 -40.2 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -121.91 158.28 29.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -63.86 -37.0 85.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -57.99 -34.87 70.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -33.77 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 1.016 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -68.22 -43.64 77.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.07 -36.91 85.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -60.36 -31.93 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -90.82 -39.97 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.76 73.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.633 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -54.51 -44.56 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.758 HD13 ' CG1' ' A' ' 26' ' ' VAL . 16.5 mt -68.24 -49.03 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.594 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.8 OUTLIER -52.64 -40.37 62.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.4 mt -59.75 -43.91 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -64.58 -42.12 95.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.764 ' CG1' HD13 ' A' ' 22' ' ' ILE . 17.5 t -64.81 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.594 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.0 m-85 -68.92 -42.36 76.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.84 90.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -18.53 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.8 mt -91.02 -0.84 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.83 11.38 68.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -94.73 35.11 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.941 0.4 . . . . 0.0 110.951 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -50.4 161.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 70.61 58.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.478 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -89.29 148.88 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.08 124.98 40.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -102.12 136.94 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 17.3 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 1.016 HG21 ' HB1' ' B' ' 16' ' ' ALA . 6.5 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.916 0.389 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 10.8 m -131.42 126.67 35.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.6 p -91.04 138.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.92 119.94 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.9 151.52 19.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.56 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.6 pm0 -125.86 153.75 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 45.1 tp . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.86 0.362 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.38 124.05 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -130.21 121.33 26.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.604 HD12 HD11 ' A' ' 23' ' ' LEU . 24.2 mt -117.05 125.68 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.98 125.06 51.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.76 HG22 HG23 ' B' ' 6' ' ' ILE . 8.9 pt -112.4 135.28 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.48 97.02 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.76 169.06 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.629 ' HG3' HG22 ' A' ' 12' ' ' THR . 7.2 ptm180 -74.03 -34.97 64.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.629 HG22 ' HG3' ' A' ' 11' ' ' ARG . 2.1 t -137.98 158.79 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -56.5 -40.45 75.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -38.02 77.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 12' ' ' THR . 10.2 mm-40 -66.95 -52.08 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.687 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -61.37 -42.26 98.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.14 -39.87 79.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -60.49 -32.27 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -80.67 -38.54 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.17 77.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.74 -45.77 63.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' B' ' 26' ' ' VAL . 15.3 mt -67.72 -49.11 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.604 HD11 HD12 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -53.8 -39.65 65.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.6 mt -60.65 -42.67 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -66.04 -42.12 89.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.741 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.5 t -64.55 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.567 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.9 m-85 -69.05 -42.17 76.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.75 91.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -18.57 63.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.72 -0.18 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.97 10.19 69.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.742 ' CE1' HD13 ' A' ' 50' ' ' LEU . 17.8 m-85 -94.59 34.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.487 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -50.33 161.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 70.55 57.99 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -88.16 146.35 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -124.78 125.6 44.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -102.54 134.98 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.7 p -130.07 127.27 39.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.924 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.767 0.318 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.687 HG11 ' HB1' ' A' ' 16' ' ' ALA . 2.8 p -106.7 132.77 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.5 m -130.65 126.44 36.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.05 138.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -126.07 120.78 31.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.23 151.7 19.52 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.544 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.6 pm0 -126.85 141.45 51.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.742 HD13 ' CE1' ' A' ' 32' ' ' TYR . 15.4 tp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.883 0.373 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 90.8 t -125.86 129.95 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.586 ' NE ' HG21 ' B' ' 45' ' ' THR . 20.9 ttt85 -130.41 123.21 29.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.76 HG23 HG22 ' A' ' 8' ' ' ILE . 55.3 mt -125.14 125.74 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 2.6 t -114.68 137.01 52.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.537 HG23 HG12 ' A' ' 6' ' ' ILE . 27.2 mt -110.46 135.37 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.26 73.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.01 164.57 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.1 -68.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.433 HG23 ' H ' ' B' ' 15' ' ' GLU . 8.6 t -96.96 164.4 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -64.72 -30.85 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -43.1 89.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.433 ' H ' HG23 ' B' ' 12' ' ' THR . 0.8 OUTLIER -64.82 -52.14 58.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.643 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -60.47 -38.23 83.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.87 -39.9 94.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -59.91 -32.09 70.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.407 ' HB2' HD13 ' B' ' 8' ' ' ILE . 44.5 m-85 -83.04 -39.5 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.88 -43.61 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.36 -47.11 62.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.741 HD13 ' CG1' ' A' ' 26' ' ' VAL . 6.6 mt -67.89 -48.3 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.575 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -51.72 -39.7 58.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' B' ' 21' ' ' ALA . 9.8 mt -60.18 -44.5 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -64.35 -42.01 96.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' A' ' 22' ' ' ILE . 14.0 t -65.2 -40.15 87.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.575 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.5 m-85 -70.37 -42.43 71.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.7 91.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -18.42 64.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 37.9 mt -91.4 -2.2 57.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.73 13.26 65.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.611 ' CE1' HD13 ' B' ' 50' ' ' LEU . 13.2 m-85 -94.42 35.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.407 . . . . 0.0 110.967 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -49.69 161.47 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 70.54 56.34 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.467 HD11 ' HA3' ' B' ' 48' ' ' GLY . 0.7 OUTLIER -85.97 149.03 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -127.48 121.51 30.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 p -101.36 136.73 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 81.4 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.643 HG11 ' HB1' ' B' ' 16' ' ' ALA . 12.2 p . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.909 0.385 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . 0.586 HG21 ' NE ' ' B' ' 5' ' ' ARG . 7.0 m -121.2 121.08 37.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.8 p -97.14 136.31 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -119.46 116.74 26.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . 0.467 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.84 141.58 12.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.53 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.438 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 2.4 pm0 -121.19 144.33 48.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.611 HD13 ' CE1' ' B' ' 32' ' ' TYR . 20.4 tp . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.818 0.342 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.774 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 44.6 t -107.91 127.61 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.578 ' CZ ' HG21 ' A' ' 45' ' ' THR . 42.0 ttt85 -130.14 119.02 22.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.684 HG23 HG22 ' B' ' 8' ' ' ILE . 64.1 mt -117.03 125.4 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.16 119.11 38.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.69 HG22 HG23 ' B' ' 6' ' ' ILE . 14.5 pt -110.1 135.14 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.078 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.97 126.76 55.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . . . -129.82 168.91 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.402 ' HG3' HG22 ' A' ' 12' ' ' THR . 10.6 ptm180 -73.85 -30.86 62.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.1 t -141.98 153.66 44.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -53.69 -36.55 62.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mmpp? -63.47 -37.89 89.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.926 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.554 ' H ' HG23 ' A' ' 12' ' ' THR . 2.0 mm-40 -66.81 -52.08 48.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.58 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -64.2 -36.21 83.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.79 -39.88 78.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -62.62 -31.94 72.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -77.02 -42.28 39.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.51 -42.5 74.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -54.68 -43.26 72.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.748 HD13 ' CG1' ' B' ' 26' ' ' VAL . 19.5 mt -68.54 -49.01 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.644 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -53.07 -39.48 63.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.9 mt -61.11 -43.48 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.87 -42.19 95.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.749 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.7 t -64.64 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.644 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.5 m-85 -67.76 -42.19 82.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.91 96.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -18.44 64.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.2 mt -93.39 -0.39 56.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 11.73 67.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.665 ' CD1' HD23 ' A' ' 50' ' ' LEU . 12.2 m-85 -94.31 32.81 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.487 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -50.17 161.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 69.86 59.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -89.58 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -125.7 126.59 44.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -103.04 135.81 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -132.09 116.19 16.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.939 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.786 0.327 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.58 HG21 ' HB1' ' A' ' 16' ' ' ALA . 52.9 t -94.6 131.75 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.578 HG21 ' CZ ' ' A' ' 5' ' ' ARG . 96.8 m -142.51 136.25 29.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.0 p -115.85 136.75 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -125.99 128.4 47.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.39 160.53 24.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.518 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.7 pm0 -128.72 141.87 51.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.665 HD23 ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.799 0.333 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.91 126.42 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -130.27 121.07 25.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.69 HG23 HG22 ' A' ' 8' ' ' ILE . 72.4 mt -119.89 125.05 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.48 124.89 53.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.684 HG22 HG23 ' A' ' 6' ' ' ILE . 9.0 pt -110.82 135.3 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -114.13 100.56 8.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.74 169.05 8.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -78.3 -39.96 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.419 HG23 ' H ' ' B' ' 15' ' ' GLU . 1.7 t -122.79 158.34 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.5 -38.66 91.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.91 -36.45 72.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.419 ' H ' HG23 ' B' ' 12' ' ' THR . 16.3 mm-40 -67.09 -52.07 46.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.733 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -58.8 -40.55 84.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -57.83 -39.87 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -64.59 -33.79 76.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.774 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 31.2 m-85 -72.9 -44.19 61.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.76 -44.39 77.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.598 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.22 -46.17 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.749 HD13 ' CG1' ' A' ' 26' ' ' VAL . 19.6 mt -68.65 -49.24 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.52 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -53.35 -39.6 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.4 mt -60.38 -42.84 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -66.08 -42.17 89.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.748 ' CG1' HD13 ' A' ' 22' ' ' ILE . 16.1 t -64.8 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.52 ' CE2' HD12 ' B' ' 23' ' ' LEU . 5.6 m-85 -69.39 -42.11 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.43 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -18.54 64.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.594 HD12 ' O ' ' B' ' 26' ' ' VAL . 5.1 mt -91.97 0.31 57.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.64 9.97 71.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.665 ' CD1' HD23 ' B' ' 50' ' ' LEU . 14.7 m-85 -94.03 33.3 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.905 0.383 . . . . 0.0 110.96 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -50.4 161.35 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 69.11 59.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.496 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -89.08 149.2 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.22 128.61 43.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.451 ' CG2' HG23 ' B' ' 44' ' ' VAL . 8.9 p -98.48 137.09 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 24.4 p . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.733 HG11 ' HB1' ' B' ' 16' ' ' ALA . 3.3 p . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.888 0.375 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.8 m -129.48 133.5 47.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -99.18 137.46 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -128.62 129.0 45.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.49 170.86 21.78 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.82 146.69 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.665 HD23 ' CD1' ' B' ' 32' ' ' TYR . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.761 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 40.8 t -132.08 129.57 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.46 118.87 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.658 HG23 HG22 ' B' ' 8' ' ' ILE . 64.8 mt -116.55 125.39 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.52 118.6 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.644 HG22 HG23 ' B' ' 6' ' ' ILE . 13.9 pt -110.0 135.12 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.33 129.14 56.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . . . -132.85 165.1 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.58 ' HG3' HG22 ' A' ' 12' ' ' THR . 10.1 ptt180 -71.9 -37.12 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.593 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.6 t -134.25 156.94 47.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -35.96 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -38.29 90.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.593 ' H ' HG23 ' A' ' 12' ' ' THR . 2.7 mm-40 -67.01 -52.11 46.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.722 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -62.54 -37.44 86.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.87 -39.9 78.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -62.58 -31.97 72.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -76.66 -43.5 37.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.48 -42.57 74.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.652 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -55.04 -42.16 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.075 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.742 HD13 ' CG1' ' B' ' 26' ' ' VAL . 21.8 mt -69.06 -48.93 66.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.589 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -53.62 -39.24 64.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.0 mt -61.57 -43.15 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -65.31 -42.22 93.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.747 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.6 t -64.47 -40.51 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.589 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.2 m-85 -69.42 -39.52 77.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.33 94.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -18.46 64.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -92.42 -2.68 56.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.78 14.03 63.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.414 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.8 m-85 -93.77 34.79 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.907 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.484 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -49.97 161.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t70 69.28 64.61 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -93.85 144.83 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -122.26 123.87 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 45' ' ' THR . 11.2 p -101.88 135.01 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.3 p -128.89 116.94 20.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.783 0.325 . . . . 0.0 111.141 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.722 HG21 ' HB1' ' A' ' 16' ' ' ALA . 61.6 t -93.64 132.6 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 37' ' ' VAL . 96.7 m -142.4 138.11 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -118.65 139.18 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -126.34 121.69 33.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.84 148.57 19.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.74 150.38 40.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.481 HD13 ' C ' ' A' ' 50' ' ' LEU . 2.9 tm? . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.832 0.349 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 62.6 t -132.16 125.95 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -130.42 119.37 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.644 HG23 HG22 ' A' ' 8' ' ' ILE . 72.9 mt -116.23 125.24 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.37 125.44 54.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.658 HG22 HG23 ' A' ' 6' ' ' ILE . 8.2 pt -112.18 135.44 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.89 93.39 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.88 169.43 8.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -71.97 -63.59 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.454 HG23 ' H ' ' B' ' 15' ' ' GLU . 7.9 t -94.8 -172.19 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -88.0 -38.16 15.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -32.8 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.454 ' H ' HG23 ' B' ' 12' ' ' THR . 0.3 OUTLIER -67.18 -36.58 82.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.768 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -68.48 -37.07 79.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -70.06 -37.12 75.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -61.83 -33.65 74.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.951 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.761 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 41.2 m-85 -82.21 -45.26 15.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.13 78.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.6 -46.96 63.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.747 HD13 ' CG1' ' A' ' 26' ' ' VAL . 22.4 mt -68.96 -49.19 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.493 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -52.51 -41.7 63.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' B' ' 21' ' ' ALA . 13.3 mt -58.62 -42.91 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -66.18 -42.14 89.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.742 ' CG1' HD13 ' A' ' 22' ' ' ILE . 18.5 t -63.65 -41.27 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.493 ' CE2' HD12 ' B' ' 23' ' ' LEU . 7.9 m-85 -67.75 -42.07 82.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.35 94.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.95 -18.85 64.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 28.1 mt -91.55 -2.42 57.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.77 13.04 65.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.583 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 16.6 m-85 -94.62 35.48 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -50.49 161.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 70.58 57.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.422 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -86.17 146.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.152 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -126.78 123.15 36.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 p -100.6 137.06 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 12.8 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 -179.981 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.768 HG11 ' HB1' ' B' ' 16' ' ' ALA . 3.5 p . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.881 0.372 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 11.7 m -130.54 126.41 36.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.422 HG12 ' HB ' ' B' ' 6' ' ' ILE . 8.9 p -91.79 139.26 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -124.66 119.71 29.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.87 149.61 18.5 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.513 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.6 pm0 -129.26 141.05 51.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.583 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.848 0.356 . . . . 0.0 110.878 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.683 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 41.1 t -120.4 128.6 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.406 ' HG3' HG22 ' A' ' 45' ' ' THR . 5.6 ttp180 -130.04 127.57 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.678 HG23 HG22 ' B' ' 8' ' ' ILE . 75.3 mt -123.99 125.7 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.45 119.05 38.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.714 HG22 ' CG2' ' B' ' 6' ' ' ILE . 2.1 pp -115.43 130.35 70.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.675 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -110.22 147.8 33.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.685 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -146.12 165.84 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -63.52 -49.1 74.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -128.45 174.27 9.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -61.73 -37.42 84.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -39.13 90.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.685 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 53.1 mm-40 -67.19 -51.12 57.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.46 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.85 -39.68 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -39.98 85.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -60.99 -45.57 94.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.786 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 40.1 m-85 -66.54 -46.8 74.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -43.88 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.698 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -55.76 -45.18 78.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.759 HD13 HG11 ' B' ' 26' ' ' VAL . 19.9 mt -64.02 -49.1 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.72 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -54.38 -41.58 69.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.6 mt -59.45 -42.8 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -65.12 -42.25 94.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.802 HG11 HD13 ' B' ' 22' ' ' ILE . 16.6 t -64.79 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.72 ' CE2' HD12 ' A' ' 23' ' ' LEU . 9.9 m-85 -65.55 -42.26 92.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -45.69 91.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -18.89 64.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.443 ' CD1' HG12 ' A' ' 26' ' ' VAL . 17.0 mt -91.03 -2.11 57.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 12.49 66.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.647 ' CG ' HD23 ' A' ' 50' ' ' LEU . 12.7 m-85 -94.24 34.9 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.906 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -49.41 161.92 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t0 71.9 56.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.509 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -90.71 149.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -130.79 126.92 37.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.5 p -98.6 137.09 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -131.52 113.94 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.675 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.101 0 CA-C-O 120.79 0.329 . . . . 0.0 111.158 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.46 HG11 ' HB1' ' A' ' 16' ' ' ALA . 2.5 p -107.27 132.56 54.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.406 HG22 ' HG3' ' A' ' 5' ' ' ARG . 9.2 m -127.95 132.37 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.401 HG11 ' HE2' ' A' ' 27' ' ' PHE . 9.5 p -94.62 139.45 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -127.11 124.48 39.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.77 165.71 21.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -135.09 132.74 38.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.647 HD23 ' CG ' ' A' ' 32' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.828 0.347 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.786 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 41.3 t -122.06 123.83 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -130.33 127.64 39.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.714 ' CG2' HG22 ' A' ' 8' ' ' ILE . 84.6 mt -125.03 125.69 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.71 129.87 56.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.678 HG22 HG23 ' A' ' 6' ' ' ILE . 12.4 pt -110.78 135.21 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.97 93.79 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.87 169.11 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -83.78 -44.14 14.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.428 HG23 ' H ' ' B' ' 15' ' ' GLU . 1.6 t -111.41 158.05 19.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -36.46 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -41.16 82.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.428 ' H ' HG23 ' B' ' 12' ' ' THR . 33.3 mt-10 -62.88 -33.95 76.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.749 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -68.33 -37.04 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -70.07 -37.19 75.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -63.5 -36.95 85.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.683 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 27.5 m-85 -77.59 -44.63 27.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.71 77.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.646 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.63 -46.55 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.802 HD13 HG11 ' A' ' 26' ' ' VAL . 14.8 mt -66.71 -49.19 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.508 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.2 mm? -54.06 -39.14 66.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' B' ' 21' ' ' ALA . 11.5 mt -61.41 -42.52 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -65.94 -42.13 90.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.759 HG11 HD13 ' A' ' 22' ' ' ILE . 15.6 t -64.68 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.508 ' CE2' HD12 ' B' ' 23' ' ' LEU . 7.1 m-85 -68.04 -42.69 80.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.66 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -18.8 64.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.7 -9.98 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.56 12.11 54.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.544 ' OH ' HD12 ' B' ' 50' ' ' LEU . 18.9 m-85 -94.34 36.01 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.941 0.4 . . . . 0.0 110.922 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -49.59 161.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.45 57.69 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.447 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -88.18 149.1 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.29 123.52 34.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.99 137.05 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 10.9 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.177 179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.749 HG21 ' HB1' ' B' ' 16' ' ' ALA . 4.0 m . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.922 0.391 . . . . 0.0 111.117 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 6.4 m -131.75 125.55 32.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -90.42 137.03 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -121.15 120.2 34.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.88 150.79 18.85 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.45 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 2.3 pm0 -125.79 144.91 50.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.544 HD12 ' OH ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 51.4 t -107.97 123.71 63.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -130.27 122.76 28.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.669 HG23 HG22 ' B' ' 8' ' ' ILE . 64.2 mt -120.14 125.31 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.57 124.88 52.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.665 HG22 HG23 ' B' ' 6' ' ' ILE . 9.6 pt -110.98 135.43 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.469 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -111.85 102.27 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.15 169.01 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.582 ' HG3' HG22 ' A' ' 12' ' ' THR . 13.9 ptt180 -72.3 -41.67 66.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.582 HG22 ' HG3' ' A' ' 11' ' ' ARG . 3.4 t -132.5 160.29 36.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -37.34 75.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -41.16 82.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.493 ' H ' HG23 ' A' ' 12' ' ' THR . 0.3 OUTLIER -67.13 -52.06 46.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.654 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.55 -41.32 89.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -39.87 79.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -60.58 -37.47 81.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -74.23 -39.64 62.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.48 75.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.648 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -54.04 -44.71 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.758 HD13 ' CG1' ' B' ' 26' ' ' VAL . 16.2 mt -67.91 -49.22 70.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.549 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -53.01 -38.98 62.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.4 mt -61.13 -42.96 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -65.59 -42.15 92.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.751 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.9 t -64.9 -40.33 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.1 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.549 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.2 m-85 -69.12 -41.52 77.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.66 92.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -18.6 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 26' ' ' VAL . 2.3 mt -91.67 1.08 57.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 8.57 73.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.62 ' CG ' HD23 ' A' ' 50' ' ' LEU . 28.4 m-85 -94.46 33.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.84 161.09 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t70 68.52 61.55 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.478 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -89.82 149.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -122.99 125.11 44.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -100.82 135.54 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -130.51 120.72 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.995 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.469 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.858 0.361 . . . . 0.0 111.137 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.654 HG11 ' HB1' ' A' ' 16' ' ' ALA . 2.9 p -106.22 133.3 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.4 m -131.71 127.64 37.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.67 137.73 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.17 127.97 45.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.73 171.03 19.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.02 147.59 48.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.62 HD23 ' CG ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.9 0.381 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.8 t -107.99 125.19 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -130.33 121.76 26.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.665 HG23 HG22 ' A' ' 8' ' ' ILE . 66.1 mt -119.75 125.4 74.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.28 125.67 54.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.669 HG22 HG23 ' A' ' 6' ' ' ILE . 10.2 pt -110.92 135.43 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.44 95.63 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.66 168.86 8.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.631 ' HG3' HG22 ' B' ' 12' ' ' THR . 15.4 ptm180 -72.3 -38.45 68.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.631 HG22 ' HG3' ' B' ' 11' ' ' ARG . 2.1 t -133.97 158.71 42.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -39.61 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -38.49 77.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.482 ' H ' HG23 ' B' ' 12' ' ' THR . 3.3 mm-40 -67.0 -51.94 48.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.544 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -60.39 -40.47 91.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.98 -39.91 79.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -60.63 -32.67 71.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -79.5 -39.12 32.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.55 -42.33 74.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -53.83 -44.77 70.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.751 HD13 ' CG1' ' A' ' 26' ' ' VAL . 14.7 mt -68.1 -49.25 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.533 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.0 OUTLIER -52.71 -39.36 61.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.2 mt -60.66 -42.66 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -65.91 -42.13 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' A' ' 22' ' ' ILE . 15.8 t -64.13 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' B' ' 23' ' ' LEU . 7.2 m-85 -69.95 -42.31 73.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.31 93.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -18.7 64.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.586 HD12 ' O ' ' B' ' 26' ' ' VAL . 5.9 mt -91.52 -2.06 57.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 13.25 65.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.635 ' CG ' HD23 ' B' ' 50' ' ' LEU . 17.2 m-85 -94.18 35.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.486 ' H ' ' ND2' ' B' ' 33' ' ' ASN . 0.6 OUTLIER -50.13 161.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 t70 71.02 60.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.402 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -92.81 148.8 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -128.07 127.61 43.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 p -102.39 136.98 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 37.3 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.657 HG23 HG12 ' B' ' 8' ' ' ILE . 11.4 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.9 0.381 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 13.6 m -130.0 125.57 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -90.51 137.6 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.62 127.79 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.92 162.43 23.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -131.37 139.41 49.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.635 HD23 ' CG ' ' B' ' 32' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.671 HG11 ' CE2' ' B' ' 19' ' ' PHE . 39.2 t -132.06 122.46 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -130.15 128.15 41.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.611 HD12 HD11 ' A' ' 23' ' ' LEU . 22.9 mt -122.37 125.53 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.63 125.14 52.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.722 HG22 HG23 ' B' ' 6' ' ' ILE . 8.7 pt -111.11 135.46 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.09 96.87 5.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.23 164.79 11.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -69.63 -49.19 56.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.479 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.3 t -115.94 153.42 31.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -57.08 -38.6 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -59.11 -37.35 76.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.479 ' H ' HG23 ' A' ' 12' ' ' THR . 31.5 mm-40 -66.48 -50.66 62.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -60.14 -40.62 90.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.96 -39.93 87.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -61.59 -45.15 95.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.626 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 17.9 m-85 -64.93 -43.01 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -42.41 74.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.664 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -54.51 -45.91 73.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.753 HD13 ' CG1' ' B' ' 26' ' ' VAL . 14.0 mt -66.28 -49.27 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.738 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -51.82 -42.37 62.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.2 mt -58.1 -45.21 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -63.58 -39.3 94.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.743 ' CG1' HD13 ' B' ' 22' ' ' ILE . 6.7 t -68.35 -40.56 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.738 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.4 m-85 -66.69 -42.4 86.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.89 88.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -18.79 63.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 mt -88.85 -11.22 45.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.69 10.57 52.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.506 ' OH ' HD12 ' A' ' 50' ' ' LEU . 21.8 m-85 -94.34 36.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.945 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.456 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -49.15 161.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 t70 69.24 60.8 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.461 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -90.03 149.12 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -127.41 121.62 31.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -101.4 136.82 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.3 p -131.6 118.14 19.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.826 0.346 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.627 HG13 HG12 ' A' ' 8' ' ' ILE . 3.1 p -109.91 132.54 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 m -129.31 127.09 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -91.64 139.21 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -124.59 116.84 23.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.02 154.53 20.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.43 161.86 26.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.506 HD12 ' OH ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.855 0.359 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.626 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 61.4 t -131.98 125.6 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -130.2 125.99 36.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.722 HG23 HG22 ' A' ' 8' ' ' ILE . 59.6 mt -125.17 125.96 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.4 135.3 54.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.588 HG23 HG12 ' A' ' 6' ' ' ILE . 26.6 mt -110.55 135.34 49.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -101.47 71.52 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.16 158.37 16.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -68.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.546 HG23 ' H ' ' B' ' 15' ' ' GLU . 4.4 t -84.82 154.85 22.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -37.63 84.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -36.8 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.546 ' H ' HG23 ' B' ' 12' ' ' THR . 17.5 mm-40 -62.93 -52.23 63.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.721 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -66.77 -40.47 88.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -40.11 79.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -60.4 -40.61 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.671 ' CE2' HG11 ' A' ' 4' ' ' VAL . 58.7 m-85 -73.68 -41.66 62.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.85 -44.43 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.709 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.31 -47.97 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.743 HD13 ' CG1' ' A' ' 26' ' ' VAL . 5.7 mt -68.23 -47.12 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.698 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.4 mm? -51.87 -38.61 56.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' B' ' 21' ' ' ALA . 9.0 mt -61.23 -43.69 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -65.28 -42.13 93.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.753 ' CG1' HD13 ' A' ' 22' ' ' ILE . 14.3 t -64.83 -40.22 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.698 ' CE2' HD12 ' B' ' 23' ' ' LEU . 12.7 m-85 -68.27 -42.48 79.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.71 91.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.059 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.05 -18.49 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 42.9 mt -91.75 -1.75 57.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.1 70.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.635 ' CD1' HD23 ' B' ' 50' ' ' LEU . 18.7 m-85 -93.89 36.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -49.66 160.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 t70 67.55 69.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.462 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -96.22 148.66 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -124.48 118.99 27.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.4 p -104.75 137.04 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 23.5 p . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.721 HG21 ' HB1' ' B' ' 16' ' ' ALA . 33.0 m . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.888 0.375 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.9 m -128.44 119.63 25.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -95.48 136.6 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -120.9 125.75 48.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.7 150.38 18.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -121.42 149.57 42.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.635 HD23 ' CD1' ' B' ' 32' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.8 0.333 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.595 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 48.7 t -130.93 124.55 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -130.09 128.58 42.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.676 HG23 HG22 ' B' ' 8' ' ' ILE . 68.0 mt -124.93 125.1 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.25 128.0 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.63 HG12 HG13 ' A' ' 44' ' ' VAL . 9.2 pt -111.13 135.39 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 94.81 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.16 169.04 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -79.62 -35.76 38.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -127.97 158.02 39.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -34.04 77.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -42.01 84.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.07 -48.44 68.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.547 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.59 -41.51 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -39.92 82.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -64.15 -35.21 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.785 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 42.0 m-85 -72.12 -45.43 60.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.61 77.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.624 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.19 -46.83 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.757 HD13 ' CG1' ' B' ' 26' ' ' VAL . 14.6 mt -67.71 -49.24 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.549 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.3 mm? -52.9 -40.42 63.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.4 mt -59.52 -42.88 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -65.88 -42.14 90.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.744 ' CG1' HD13 ' B' ' 22' ' ' ILE . 17.5 t -64.74 -40.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.549 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.8 m-85 -68.55 -42.4 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.94 -45.61 88.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -18.62 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.423 ' CD1' HG12 ' A' ' 26' ' ' VAL . 23.4 mt -90.92 -3.03 57.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.83 13.35 64.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 15.2 m-85 -94.64 35.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.483 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -49.73 161.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 71.04 58.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.473 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -90.85 148.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -126.0 124.16 40.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.5 p -102.81 137.0 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -133.75 124.33 26.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.832 0.349 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.63 HG13 HG12 ' A' ' 8' ' ' ILE . 3.5 p -101.8 132.72 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.0 m -131.21 130.28 42.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.5 p -94.77 138.72 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -125.88 119.48 27.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.03 166.47 21.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -145.68 141.21 27.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.591 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.843 0.354 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.785 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 45.7 t -128.59 126.59 65.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -130.38 126.32 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.612 HG23 HG22 ' A' ' 8' ' ' ILE . 68.4 mt -121.62 125.53 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.71 123.66 49.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.676 HG22 HG23 ' A' ' 6' ' ' ILE . 10.0 pt -110.84 135.44 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.97 106.36 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.616 ' HB1' ' HB3' ' B' ' 15' ' ' GLU . . . -109.97 168.94 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.507 ' HG3' HG22 ' B' ' 12' ' ' THR . 8.7 ptm180 -81.82 -40.2 22.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.52 HG23 ' H ' ' B' ' 15' ' ' GLU . 1.6 t -124.56 157.97 34.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -55.95 -36.48 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -36.56 84.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.616 ' HB3' ' HB1' ' B' ' 10' ' ' ALA . 29.6 mm-40 -63.43 -35.22 79.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.992 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -68.35 -38.25 81.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -70.07 -36.68 75.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -59.55 -31.89 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.595 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 20.0 m-85 -90.41 -41.14 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.26 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -54.19 -41.99 69.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.744 HD13 ' CG1' ' A' ' 26' ' ' VAL . 22.5 mt -69.59 -49.13 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -53.77 -39.27 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.1 mt -61.29 -42.69 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -66.0 -42.03 90.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.757 ' CG1' HD13 ' A' ' 22' ' ' ILE . 16.5 t -64.34 -41.08 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.0 m-85 -67.36 -41.07 85.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.5 93.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.22 -18.78 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 29.3 mt -91.3 -1.54 57.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.67 11.72 67.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.612 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 15.9 m-85 -94.61 34.4 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.379 . . . . 0.0 110.921 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.486 ' H ' ' ND2' ' B' ' 33' ' ' ASN . 0.6 OUTLIER -50.24 161.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 71.06 57.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.449 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -88.9 145.43 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -125.11 124.83 42.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.63 136.08 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.8 p . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -179.982 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.992 HG21 ' HB1' ' B' ' 16' ' ' ALA . 3.8 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.843 0.354 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.0 m -129.01 126.95 40.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.3 139.11 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -124.21 121.88 36.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.75 166.86 21.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -146.96 141.18 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.612 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.85 0.357 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.803 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 60.0 t -132.06 125.31 54.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -130.11 124.22 32.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.661 HG23 HG22 ' B' ' 8' ' ' ILE . 70.5 mt -121.81 125.39 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.91 126.11 54.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.691 HG22 HG23 ' B' ' 6' ' ' ILE . 10.4 pt -110.85 135.39 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.719 HG23 HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -117.41 93.23 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.88 169.04 9.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -70.57 -53.81 14.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 15' ' ' GLU . 1.9 t -108.98 158.62 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -63.92 -40.45 96.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.82 -33.56 68.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' H ' HG23 ' A' ' 12' ' ' THR . 12.3 mm-40 -67.11 -52.06 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.408 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -60.1 -40.33 89.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -39.93 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -62.7 -32.47 73.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.768 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 28.4 m-85 -76.07 -43.9 41.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.22 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.45 -45.35 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.761 HD13 ' CG1' ' B' ' 26' ' ' VAL . 22.2 mt -69.75 -49.19 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.3 mm? -52.61 -41.15 63.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.1 mt -58.92 -42.9 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -66.04 -42.24 89.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' B' ' 22' ' ' ILE . 19.4 t -64.41 -40.63 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.557 ' CE2' HD12 ' A' ' 23' ' ' LEU . 8.7 m-85 -67.38 -42.39 83.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.54 87.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -18.64 64.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.482 ' CD1' HG12 ' A' ' 26' ' ' VAL . 21.9 mt -90.89 -3.21 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.85 13.26 64.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.567 ' CE1' HD13 ' A' ' 50' ' ' LEU . 13.4 m-85 -94.35 35.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.933 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.482 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -49.42 161.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t0 70.67 58.92 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -89.56 149.03 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -128.35 121.83 30.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.07 136.31 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 p -130.92 114.03 14.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.644 ' HB3' HG12 ' A' ' 44' ' ' VAL . 61.0 p-90 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.719 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.853 0.359 . . . . 0.0 111.114 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.671 HG23 HG12 ' A' ' 8' ' ' ILE . 4.5 m -111.5 134.14 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.4 m -129.48 123.8 32.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.59 137.95 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -124.97 117.79 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.35 150.77 19.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.563 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.6 pm0 -125.2 156.24 38.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.368 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.567 HD13 ' CE1' ' A' ' 32' ' ' TYR . 22.7 tp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.768 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 48.0 t -125.14 125.32 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -130.28 118.88 21.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.691 HG23 HG22 ' A' ' 8' ' ' ILE . 61.1 mt -117.6 125.37 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.59 118.23 36.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.661 HG22 HG23 ' A' ' 6' ' ' ILE . 14.7 pt -110.32 135.26 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.3 124.98 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' B' ' 15' ' ' GLU . . . -133.04 169.25 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -72.95 -68.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -105.3 168.4 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -58.83 -39.64 81.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -38.82 81.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.604 ' HB3' ' HB1' ' B' ' 10' ' ' ALA . 11.0 mm-40 -65.88 -52.2 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.956 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -62.66 -42.42 99.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.94 -39.62 78.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -59.67 -38.99 82.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.803 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 23.9 m-85 -73.66 -45.89 49.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.05 74.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -54.59 -43.87 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' A' ' 26' ' ' VAL . 20.8 mt -68.42 -48.85 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.719 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -53.2 -39.0 63.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.3 mt -61.23 -42.67 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -66.01 -42.17 90.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.761 ' CG1' HD13 ' A' ' 22' ' ' ILE . 17.0 t -64.44 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.719 ' CE2' HD12 ' B' ' 23' ' ' LEU . 9.7 m-85 -67.69 -41.69 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.15 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -18.62 64.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -92.56 -1.77 56.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 12.27 66.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.633 ' CG ' HD23 ' B' ' 50' ' ' LEU . 18.7 m-85 -94.1 35.84 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.379 . . . . 0.0 110.914 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -50.17 160.51 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 9.3 t70 67.7 68.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -95.47 148.29 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -123.74 122.67 38.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -104.26 136.15 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 62.0 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.943 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.956 HG21 ' HB1' ' B' ' 16' ' ' ALA . 63.7 t . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.917 0.389 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m -141.51 126.29 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -105.57 137.68 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -125.13 128.51 48.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.92 170.96 19.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.59 145.96 37.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 0.0 110.975 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.633 HD23 ' CG ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.789 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 41.4 t -126.74 124.86 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -130.26 130.53 44.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.585 HG23 HG22 ' B' ' 8' ' ' ILE . 68.7 mt -125.17 125.5 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.51 125.31 53.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.702 HG22 HG23 ' B' ' 6' ' ' ILE . 9.9 pt -110.84 135.38 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.88 102.39 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -112.24 168.96 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -69.55 -54.46 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 15' ' ' GLU . 10.0 t -118.33 165.19 14.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -43.32 94.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -34.59 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.596 ' H ' HG23 ' A' ' 12' ' ' THR . 20.4 mm-40 -66.51 -52.16 48.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.658 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -64.11 -39.14 93.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -39.87 79.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -59.81 -32.46 70.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -80.83 -39.2 26.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.31 76.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -53.05 -45.34 68.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.758 HD13 ' CG1' ' B' ' 26' ' ' VAL . 17.7 mt -67.71 -49.27 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -52.67 -40.08 62.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.6 mt -60.09 -43.73 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -64.89 -42.16 95.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.753 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.4 t -65.09 -40.29 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.0 m-85 -68.87 -42.51 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.21 -45.59 92.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -18.52 63.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.7 mt -91.75 2.52 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.85 6.83 75.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.631 ' CE1' HD13 ' A' ' 50' ' ' LEU . 19.2 m-85 -94.8 31.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.448 HD22 ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -48.73 161.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 t0 68.3 64.11 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -92.07 149.13 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -122.42 124.82 44.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.26 135.29 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 p -130.77 114.11 14.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.637 ' HB3' HG12 ' A' ' 44' ' ' VAL . 65.7 p-90 . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.822 0.344 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.658 HG21 ' HB1' ' A' ' 16' ' ' ALA . 4.6 m -111.44 132.03 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.9 m -129.99 126.77 38.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -91.22 138.5 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -126.65 122.34 34.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.86 168.21 20.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.34 156.55 48.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.631 HD13 ' CE1' ' A' ' 32' ' ' TYR . 15.2 tp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 88.5 t -130.96 130.42 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 -130.26 122.74 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.702 HG23 HG22 ' A' ' 8' ' ' ILE . 68.1 mt -125.37 125.13 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 2.7 t -114.92 130.7 56.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.672 HG12 HG23 ' B' ' 44' ' ' VAL . 8.6 pt -112.12 135.36 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.04 95.07 5.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.18 169.01 8.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -76.6 -57.74 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.462 HG23 ' H ' ' B' ' 15' ' ' GLU . 2.5 t -108.52 159.21 16.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -37.72 86.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -38.04 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.462 ' H ' HG23 ' B' ' 12' ' ' THR . 3.4 mm-40 -67.06 -52.11 46.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.687 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -59.99 -39.71 86.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -57.86 -39.94 78.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -62.74 -34.98 78.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.789 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 38.6 m-85 -73.07 -44.61 60.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.71 76.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.661 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.74 -46.13 63.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.753 HD13 ' CG1' ' A' ' 26' ' ' VAL . 12.6 mt -67.99 -49.09 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.631 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.8 OUTLIER -52.47 -39.65 61.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.661 HD12 ' HA ' ' B' ' 21' ' ' ALA . 10.8 mt -60.39 -43.14 93.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -65.51 -42.16 92.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' A' ' 22' ' ' ILE . 16.5 t -64.76 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.631 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.4 m-85 -68.4 -42.39 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.63 91.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -18.66 64.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 34.1 mt -90.99 -1.53 57.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.76 12.22 66.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.448 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.647 ' CE1' HD13 ' B' ' 50' ' ' LEU . 13.9 m-85 -94.22 35.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.907 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -49.39 161.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t70 69.3 62.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.432 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -91.4 149.07 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -129.21 122.94 30.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.8 p -99.33 135.92 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 8.1 p . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.687 HG21 ' HB1' ' B' ' 16' ' ' ALA . 15.5 m . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.9 0.381 . . . . 0.0 111.133 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 4.6 m -122.13 150.94 41.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.0 136.55 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -120.2 116.74 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . 0.426 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.95 140.82 12.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -120.3 156.28 31.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.647 HD13 ' CE1' ' B' ' 32' ' ' TYR . 1.1 tp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.868 0.366 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.69 HG11 ' CE2' ' B' ' 19' ' ' PHE . 46.3 t -132.24 123.18 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.599 ' NE ' HG21 ' A' ' 45' ' ' THR . 0.1 OUTLIER -130.3 119.85 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.602 HD12 HD11 ' A' ' 23' ' ' LEU . 28.4 mt -114.59 125.82 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.89 127.87 55.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.653 HG22 HG23 ' B' ' 6' ' ' ILE . 7.8 pt -115.04 135.17 55.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.448 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -115.18 95.22 5.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.42 169.12 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -76.18 -50.75 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 15' ' ' GLU . 1.8 t -109.39 158.54 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.77 -34.3 77.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -41.53 82.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.425 ' H ' HG23 ' A' ' 12' ' ' THR . 0.2 OUTLIER -62.93 -34.65 77.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.76 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -68.37 -38.07 81.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -68.38 -37.0 80.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -62.36 -40.66 97.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.757 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 42.4 m-85 -73.84 -45.39 51.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.36 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.499 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.52 -47.88 63.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.751 HD13 ' CG1' ' B' ' 26' ' ' VAL . 12.7 mt -67.85 -49.3 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.602 HD11 HD12 ' A' ' 6' ' ' ILE . 1.2 mm? -53.21 -41.49 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 21' ' ' ALA . 13.8 mt -58.78 -44.27 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -64.32 -42.05 96.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.743 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.8 t -65.31 -40.38 88.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.579 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.5 m-85 -67.7 -42.61 81.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.75 90.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -18.67 64.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 26' ' ' VAL . 23.0 mt -90.81 -2.8 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 12.39 65.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.597 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 15.3 m-85 -94.83 35.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 110.95 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -50.11 161.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t70 70.86 58.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.473 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -88.51 148.93 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -126.59 123.29 37.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -101.24 135.82 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.1 p -131.25 127.7 38.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.448 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.808 0.337 . . . . 0.0 111.136 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.76 HG21 ' HB1' ' A' ' 16' ' ' ALA . 12.2 m -101.63 133.41 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.599 HG21 ' NE ' ' A' ' 5' ' ' ARG . 24.6 m -131.12 123.06 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -88.95 138.15 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -125.67 118.94 26.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.03 156.43 21.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.484 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.5 pm0 -135.64 142.65 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.597 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.877 0.37 . . . . 0.0 110.852 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.757 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 39.7 t -130.8 129.66 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -130.66 126.17 35.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.653 HG23 HG22 ' A' ' 8' ' ' ILE . 55.7 mt -124.41 125.54 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 9.7 t -113.71 135.92 53.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.583 HG23 HG12 ' A' ' 6' ' ' ILE . 22.7 mt -110.9 135.0 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.22 74.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.03 144.53 29.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -79.47 -32.43 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.65 144.76 44.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -59.53 -30.91 68.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.941 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -41.66 89.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -42.56 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.488 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -68.05 -37.54 81.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -69.48 -37.08 77.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -68.13 -36.02 79.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.69 ' CE2' HG11 ' A' ' 4' ' ' VAL . 16.4 m-85 -77.52 -41.6 38.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.66 -42.97 75.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -54.39 -44.79 72.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.743 HD13 ' CG1' ' A' ' 26' ' ' VAL . 11.6 mt -67.26 -49.09 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.578 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.0 OUTLIER -53.19 -39.52 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.2 mt -60.96 -43.96 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.165 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.58 -42.24 95.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.751 ' CG1' HD13 ' A' ' 22' ' ' ILE . 13.8 t -65.12 -40.08 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.578 ' CE2' HD12 ' B' ' 23' ' ' LEU . 5.6 m-85 -70.47 -40.8 73.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.41 94.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -18.43 64.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 33.1 mt -92.54 -2.5 56.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.7 13.82 64.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.693 ' CE1' HD13 ' B' ' 50' ' ' LEU . 11.9 m-85 -93.63 34.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -50.16 161.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 t0 70.87 60.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.436 HD11 ' HA3' ' B' ' 48' ' ' GLY . 0.6 OUTLIER -91.72 144.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -121.18 123.62 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.06 136.57 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 77.7 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.166 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.488 HG11 ' HB1' ' B' ' 16' ' ' ALA . 11.9 p . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.946 0.403 . . . . 0.0 111.086 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -121.0 119.87 33.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . 0.416 HG12 ' HB ' ' B' ' 6' ' ' ILE . 9.5 p -95.76 137.56 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -120.67 115.16 22.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . 0.436 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -129.0 140.95 12.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.472 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.585 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.5 pm0 -120.48 146.6 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.693 HD13 ' CE1' ' B' ' 32' ' ' TYR . 20.0 tp . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.92 0.39 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.15 128.06 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -130.13 127.71 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.695 HG23 HG22 ' B' ' 8' ' ' ILE . 58.8 mt -125.46 129.74 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.18 135.72 53.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.584 HG23 HG12 ' B' ' 6' ' ' ILE . 26.6 mt -110.48 135.56 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -102.23 73.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.83 167.5 10.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -67.89 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 15' ' ' GLU . 8.7 t -97.82 164.36 12.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -66.14 -29.19 69.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -43.51 92.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.435 ' H ' HG23 ' A' ' 12' ' ' THR . 0.2 OUTLIER -65.32 -52.15 55.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.758 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -60.19 -38.82 84.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.056 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.0 -40.53 95.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -59.93 -33.75 72.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -81.42 -39.45 24.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.34 -45.25 80.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.71 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.46 -48.31 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.755 HD13 ' CG1' ' B' ' 26' ' ' VAL . 7.3 mt -66.7 -47.97 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.539 HD11 HD12 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -51.88 -40.44 60.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 21' ' ' ALA . 9.6 mt -59.48 -44.69 93.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -64.45 -42.13 96.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.754 ' CG1' HD13 ' B' ' 22' ' ' ILE . 14.3 t -65.32 -39.9 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.536 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.1 m-85 -70.22 -42.64 72.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.73 96.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -18.22 64.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 26' ' ' VAL . 4.6 mt -94.03 3.05 55.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 7.1 75.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.618 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 22.2 m-85 -94.58 27.51 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.05 160.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 t0 68.71 61.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.517 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -90.36 149.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -120.14 122.65 41.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -101.46 137.11 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.9 p -135.64 113.69 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.957 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.096 0 CA-C-O 120.858 0.361 . . . . 0.0 111.094 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.758 HG11 ' HB1' ' A' ' 16' ' ' ALA . 8.1 p -92.71 136.53 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.0 m -129.7 136.35 49.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -112.08 134.82 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -122.59 123.14 40.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.68 165.11 21.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -137.69 147.28 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.618 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.853 0.358 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 48.0 t -107.93 122.45 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.12 121.07 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.616 HD12 HD11 ' B' ' 23' ' ' LEU . 33.2 mt -117.29 125.65 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.9 125.37 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.695 HG22 HG23 ' A' ' 6' ' ' ILE . 8.1 pt -112.77 135.4 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.67 96.47 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.178 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.03 169.09 8.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.562 ' HG3' HG22 ' B' ' 12' ' ' THR . 37.0 ptt180 -70.96 -41.86 70.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.562 HG22 ' HG3' ' B' ' 11' ' ' ARG . 3.4 t -130.69 160.22 34.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -60.31 -39.68 87.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -57.91 -38.2 75.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . 0.541 ' H ' HG23 ' B' ' 12' ' ' THR . 1.5 mm-40 -66.99 -52.14 46.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.683 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -59.58 -40.1 86.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -39.85 78.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -62.4 -32.25 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -77.96 -40.07 40.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.73 -44.34 77.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.666 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.62 -45.96 63.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.754 HD13 ' CG1' ' A' ' 26' ' ' VAL . 14.4 mt -67.56 -49.21 72.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.616 HD11 HD12 ' B' ' 6' ' ' ILE . 0.6 OUTLIER -53.37 -39.38 64.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' B' ' 21' ' ' ALA . 11.1 mt -60.97 -42.75 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.05 -42.22 89.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.755 ' CG1' HD13 ' A' ' 22' ' ' ILE . 15.5 t -64.64 -40.94 90.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.589 ' CE2' HD12 ' B' ' 23' ' ' LEU . 4.5 m-85 -68.9 -41.78 77.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.02 96.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.99 -18.55 64.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.3 mt -92.77 2.26 56.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 7.86 74.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.611 ' CG ' HD23 ' B' ' 50' ' ' LEU . 25.1 m-85 -94.6 30.6 1.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . 0.487 ' H ' ' ND2' ' B' ' 33' ' ' ASN . 0.6 OUTLIER -50.76 161.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 69.99 54.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.502 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -83.72 149.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -123.49 126.47 46.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -100.52 135.26 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.0 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.976 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.683 HG11 ' HB1' ' B' ' 16' ' ' ALA . 2.9 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.937 0.399 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -130.79 125.03 32.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -89.47 138.1 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.77 129.51 45.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.89 170.94 19.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -136.64 141.19 43.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.611 HD23 ' CG ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.862 0.363 . . . . 0.0 110.835 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.652 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 50.1 t -129.35 124.77 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.4 128.59 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.63 HD12 HD11 ' A' ' 23' ' ' LEU . 24.3 mt -125.21 132.14 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.7 t -115.13 129.75 56.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.694 HG22 HG23 ' B' ' 6' ' ' ILE . 7.5 pt -115.28 135.39 55.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.34 101.07 9.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . . . -110.58 169.01 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -68.81 -57.2 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.5 t -116.48 159.19 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -57.49 -37.58 73.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -58.02 -39.79 79.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.423 ' H ' HG23 ' A' ' 12' ' ' THR . 0.3 OUTLIER -67.05 -52.04 47.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.544 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -60.41 -39.77 88.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -57.95 -39.84 79.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -61.13 -33.92 74.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 27.5 m-85 -76.56 -42.25 43.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.84 -44.45 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.678 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -52.19 -46.35 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.751 HD13 ' CG1' ' B' ' 26' ' ' VAL . 14.7 mt -66.61 -49.19 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.63 HD11 HD12 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -52.99 -39.39 63.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.4 mt -60.78 -43.01 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -66.03 -42.06 90.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.745 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.0 t -64.87 -40.43 89.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.602 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.7 m-85 -67.9 -40.97 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.99 90.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.067 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -18.61 63.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.0 mt -90.92 -0.19 57.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 7.71 74.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.609 ' CG ' HD23 ' A' ' 50' ' ' LEU . 34.6 m-85 -94.19 35.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.915 0.388 . . . . 0.0 110.936 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -50.95 161.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t0 69.8 63.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.49 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -93.5 145.71 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -123.02 123.98 42.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.2 p -94.88 134.14 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.3 p -132.35 132.32 42.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.4 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.796 0.332 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.656 HG23 HG12 ' A' ' 8' ' ' ILE . 15.6 m -88.86 121.68 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.2 m -121.27 127.74 51.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -90.88 135.7 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -117.88 119.5 35.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.24 147.05 17.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.93 162.07 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.609 HD23 ' CG ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.874 0.369 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . 0.571 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 56.9 t -126.47 126.38 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -130.29 128.78 42.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.694 HG23 HG22 ' A' ' 8' ' ' ILE . 55.9 mt -125.18 125.78 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.87 136.45 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ILE . . . . . 0.573 HG23 HG12 ' A' ' 6' ' ' ILE . 28.8 mt -110.54 135.43 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.37 73.64 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.58 149.32 23.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -77.12 -40.65 44.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.01 146.12 40.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -29.86 70.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -43.24 86.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -52.17 45.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ALA . . . . . 0.701 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -58.48 -39.64 80.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.87 -40.79 85.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -64.91 -38.5 91.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.652 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 56.1 m-85 -70.67 -44.05 67.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.98 -45.41 78.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.078 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.72 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.65 -47.96 63.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.745 HD13 ' CG1' ' A' ' 26' ' ' VAL . 6.7 mt -66.76 -48.32 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -51.45 -39.83 58.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' B' ' 21' ' ' ALA . 9.9 mt -60.07 -44.07 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.76 -42.08 95.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.751 ' CG1' HD13 ' A' ' 22' ' ' ILE . 15.7 t -64.69 -40.4 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' B' ' 23' ' ' LEU . 8.0 m-85 -69.28 -42.7 75.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.56 92.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -18.5 64.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 36.3 mt -90.54 -10.44 43.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.14 11.74 53.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' TYR . . . . . 0.601 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 18.7 m-85 -94.27 36.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.908 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -49.39 161.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t0 70.88 59.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.478 HD11 ' HA3' ' B' ' 48' ' ' GLY . 0.7 OUTLIER -90.79 148.99 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -129.1 122.17 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.66 137.01 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' VAL . . . . . 0.701 HG21 ' HB1' ' B' ' 16' ' ' ALA . 33.3 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.869 0.366 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 29.1 m -123.76 136.33 54.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -111.72 137.27 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -120.12 116.06 24.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLY . . . . . 0.478 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.66 142.99 14.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.503 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.9 pm0 -125.36 149.62 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.601 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.863 0.363 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.67 124.13 36.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.737 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 52.7 t -112.06 124.8 69.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.11 130.51 44.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.866 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.646 HG23 HG22 ' B' ' 8' ' ' ILE . 68.2 mt -125.03 125.5 69.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.58 124.28 51.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.679 HG22 HG23 ' B' ' 6' ' ' ILE . 9.7 pt -110.87 135.44 49.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -112.45 102.43 10.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -110.66 168.81 9.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.1 ttt180 -68.98 -54.79 13.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.832 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.545 HG23 ' H ' ' A' ' 15' ' ' GLU . 5.2 t -117.45 161.75 19.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.139 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -57.89 -41.35 82.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -35.7 73.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.545 ' H ' HG23 ' A' ' 12' ' ' THR . 0.9 OUTLIER -66.6 -52.17 48.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.723 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -61.85 -41.34 97.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -57.93 -39.69 78.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 11.4 mmtt -59.7 -32.15 70.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -81.45 -39.03 25.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.67 -43.13 76.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.638 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -53.5 -44.18 68.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.08 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.737 HD13 ' CG1' ' B' ' 26' ' ' VAL . 20.3 mt -68.31 -49.35 67.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.559 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -53.27 -39.04 63.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.2 mt -61.2 -42.7 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.089 179.849 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -65.8 -42.24 90.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.879 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' B' ' 22' ' ' ILE . 17.2 t -64.37 -40.63 89.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.559 ' CE2' HD12 ' A' ' 23' ' ' LEU . 6.4 m-85 -66.91 -42.45 85.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.61 -45.94 90.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.34 -18.85 63.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.879 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.485 ' CD1' HG12 ' A' ' 26' ' ' VAL . 20.4 mt -89.53 -8.03 53.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.26 7.55 58.22 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.518 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.497 ' OH ' HD12 ' A' ' 50' ' ' LEU . 25.1 m-85 -94.29 35.68 1.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.949 0.405 . . . . 0.0 110.984 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.89 161.08 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.887 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 68.75 62.67 0.33 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -91.07 149.12 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.182 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -125.34 123.51 39.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.5 p -99.57 135.96 32.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 12.8 p -130.71 114.2 15.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.458 ' HB3' HG12 ' A' ' 44' ' ' VAL . 66.5 p-90 -107.78 141.41 39.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -141.82 102.05 4.08 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.3 -83.9 1.49 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.46 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.25 21.09 0.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.835 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.08 131.9 52.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.168 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.723 HG21 ' HB1' ' A' ' 16' ' ' ALA . 4.6 m -111.64 130.27 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.17 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.3 m -129.67 126.02 37.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -90.78 138.24 19.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.9 mt-10 -124.45 121.07 33.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.86 163.36 22.27 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.461 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.33 160.5 34.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.839 0.352 . . . . 0.0 110.87 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.497 HD12 ' OH ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -124.59 139.61 53.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.907 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.416 ' H ' HD23 ' A' ' 50' ' ' LEU . 0.5 OUTLIER -104.83 39.59 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 81.51 145.87 5.03 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.518 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -54.74 -87.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.5 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.638 ' C ' HD22 ' A' ' 55' ' ' LEU . 0.9 OUTLIER 63.3 161.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.896 0.379 . . . . 0.0 110.838 -179.767 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.638 HD22 ' C ' ' A' ' 54' ' ' SER . 4.3 mm? -128.15 26.48 5.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.924 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -67.59 -170.04 0.13 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -176.86 167.3 2.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.75 131.87 37.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.85 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 76.4 t -116.67 128.49 74.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.551 ' NE ' HG21 ' B' ' 45' ' ' THR . 11.1 ttt-85 -130.36 126.52 37.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.679 HG23 HG22 ' A' ' 8' ' ' ILE . 67.9 mt -124.98 125.49 69.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.36 125.65 54.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.837 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.664 HG12 HG23 ' B' ' 44' ' ' VAL . 10.4 pt -110.8 135.44 49.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.77 95.31 5.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.56 ' HB1' ' HB3' ' B' ' 15' ' ' GLU . . . -104.96 168.77 8.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.083 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.15 -57.14 7.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.503 HG23 ' H ' ' B' ' 15' ' ' GLU . 10.6 t -119.75 167.71 11.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.74 -40.6 88.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.11 -37.88 75.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.939 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.56 ' HB3' ' HB1' ' B' ' 10' ' ' ALA . 0.2 OUTLIER -66.73 -52.0 49.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.586 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -62.04 -38.36 88.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -39.88 79.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 26.6 mmtt -60.95 -34.04 74.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.737 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 35.3 m-85 -76.79 -42.03 42.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.75 -44.15 77.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.783 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.32 -47.7 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.05 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' A' ' 26' ' ' VAL . 12.1 mt -66.42 -49.1 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.554 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.0 OUTLIER -52.78 -38.62 61.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.919 179.912 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.7 mt -58.2 -46.6 88.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -64.34 -47.55 78.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.737 ' CG1' HD13 ' A' ' 22' ' ' ILE . 20.2 t -57.11 -40.32 72.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.554 ' CE2' HD12 ' B' ' 23' ' ' LEU . 5.3 m-85 -71.89 -42.53 66.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.55 -45.32 93.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.96 -18.45 64.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 34.4 mt -91.65 -0.92 57.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.16 11.43 67.19 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.467 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.601 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 18.2 m-85 -94.81 34.68 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 0.0 110.911 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -50.72 161.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.6 58.2 0.23 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.461 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -88.22 148.84 4.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -125.92 124.25 40.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.86 135.43 37.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.088 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 19.6 p -132.35 114.11 13.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.147 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . 0.779 ' HB3' HG12 ' B' ' 44' ' ' VAL . 69.2 p-90 -107.6 142.94 36.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -142.0 100.02 3.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.79 -83.04 1.3 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.467 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -149.14 18.47 0.97 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.919 0.39 . . . . 0.0 110.896 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.22 132.05 51.83 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.14 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.779 HG12 ' HB3' ' B' ' 39' ' ' TRP . 4.4 m -111.9 132.72 59.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . 0.551 HG21 ' NE ' ' B' ' 5' ' ' ARG . 22.9 m -128.27 125.31 38.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.149 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.7 p -91.25 138.74 19.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -125.44 119.86 29.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.98 157.99 21.8 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.523 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.483 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.6 pm0 -135.31 141.05 45.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.937 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.601 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER -106.16 139.23 41.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.412 ' H ' HD23 ' B' ' 50' ' ' LEU . 0.0 OUTLIER -103.25 36.91 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 168.47 77.55 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.503 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 176.06 109.09 0.23 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.524 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 36.3 m -144.85 157.96 43.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.911 0.386 . . . . 0.0 110.83 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -109.13 65.62 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.923 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -55.18 147.64 15.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -179.3 132.59 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.838 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.833 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.407 ' N ' HH21 ' B' ' 11' ' ' ARG . 2.2 pt-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.821 0.343 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -92.75 136.9 32.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.494 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 61.4 t -132.1 126.53 56.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -130.23 129.79 43.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.833 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.695 HG23 HG22 ' B' ' 8' ' ' ILE . 66.6 mt -125.09 125.39 69.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.186 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.2 125.83 54.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.847 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.682 HG12 HG23 ' A' ' 44' ' ' VAL . 10.4 pt -110.86 135.42 50.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.111 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.43 94.96 5.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.135 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.42 169.09 8.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.05 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.3 ttt180 -68.89 -56.4 8.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.451 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.6 t -113.3 159.31 19.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.165 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.4 pttt -59.07 -40.91 86.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -57.92 -34.87 70.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.922 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.451 ' H ' HG23 ' A' ' 12' ' ' THR . 14.6 mt-10 -67.04 -52.04 47.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.634 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -60.82 -41.65 96.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.053 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -57.98 -39.83 79.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 5.2 mmtt -59.95 -32.55 70.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 -80.46 -38.66 29.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.55 73.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.083 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.634 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -54.38 -44.56 72.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.126 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.748 HD13 ' CG1' ' B' ' 26' ' ' VAL . 17.8 mt -68.37 -49.12 69.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.142 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.553 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.1 mm? -52.38 -40.3 61.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.634 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.3 mt -59.73 -43.46 91.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.151 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -65.09 -42.15 94.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.897 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.757 ' CG1' HD13 ' B' ' 22' ' ' ILE . 18.4 t -64.52 -40.56 89.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.157 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.553 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.7 m-85 -68.42 -42.5 78.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.84 90.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.11 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.12 -18.66 63.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.1 mt -90.72 -1.76 57.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.95 11.3 67.94 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.457 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.787 ' CE1' HD13 ' A' ' 50' ' ' LEU . 17.0 m-85 -94.84 35.58 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.879 0.371 . . . . 0.0 110.941 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -50.27 161.73 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t70 71.02 58.83 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.494 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -90.1 149.05 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.91 125.26 37.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -100.36 136.23 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.0 p -131.7 114.27 14.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.56 ' HB3' HG12 ' A' ' 44' ' ' VAL . 67.0 p-90 -107.04 143.47 35.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -141.94 99.96 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.23 -84.68 1.42 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.516 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -147.06 19.93 1.25 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.909 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.11 132.08 51.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.089 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.682 HG23 HG12 ' A' ' 8' ' ' ILE . 4.2 m -111.64 132.2 60.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.2 m -130.02 125.03 34.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -90.37 138.29 19.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -124.61 120.31 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.54 161.96 23.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.432 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.6 pm0 -139.72 140.63 36.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.834 0.35 . . . . 0.0 110.929 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.787 HD13 ' CE1' ' A' ' 32' ' ' TYR . 15.4 tp -90.48 148.81 22.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -122.37 -39.69 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.36 -82.98 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -170.62 129.88 1.89 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.448 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -156.5 149.06 23.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.856 0.36 . . . . 0.0 110.867 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -92.19 -58.18 2.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -128.77 147.61 50.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.906 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.32 112.22 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.2 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.856 -179.969 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.836 0.351 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -92.85 140.27 29.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 49.9 t -123.73 124.38 69.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.11 130.45 44.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.907 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.653 HG23 HG22 ' A' ' 8' ' ' ILE . 72.4 mt -125.24 125.89 69.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.76 124.83 51.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.695 HG22 HG23 ' A' ' 6' ' ' ILE . 9.4 pt -110.79 135.26 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.432 HG23 HG23 ' B' ' 43' ' ' THR . 0.2 OUTLIER -109.34 94.87 5.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.592 ' HB1' ' HB3' ' B' ' 15' ' ' GLU . . . -104.7 169.25 8.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.407 HH21 ' N ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -72.94 -65.98 0.73 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.445 HG23 ' H ' ' B' ' 15' ' ' GLU . 10.9 t -99.36 179.76 4.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -74.1 -37.34 64.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -61.02 -33.04 72.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.592 ' HB3' ' HB1' ' B' ' 10' ' ' ALA . 1.1 mm-40 -64.89 -52.12 58.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.641 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -62.01 -40.92 97.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.11 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -64.11 -39.66 94.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 40.6 mmtt -59.7 -46.14 89.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.494 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 18.8 m-85 -69.81 -38.21 76.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.94 76.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.064 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.674 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.56 -45.9 63.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.757 HD13 ' CG1' ' A' ' 26' ' ' VAL . 19.0 mt -68.03 -49.19 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.152 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.553 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -52.81 -39.42 62.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.906 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.674 HD12 ' HA ' ' B' ' 21' ' ' ALA . 11.1 mt -60.46 -42.84 92.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -66.12 -42.1 89.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.748 ' CG1' HD13 ' A' ' 22' ' ' ILE . 16.0 t -65.02 -40.16 88.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.132 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.573 ' HB3' HD13 ' B' ' 35' ' ' ILE . 4.0 m-85 -69.92 -42.34 73.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.99 -45.63 92.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.098 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -18.47 63.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.642 HD12 ' O ' ' B' ' 26' ' ' VAL . 2.1 mt -91.92 3.67 54.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.894 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.88 4.62 78.63 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.488 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.504 ' OH ' HD12 ' B' ' 50' ' ' LEU . 29.3 m-85 -94.6 30.73 1.94 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.921 0.391 . . . . 0.0 110.946 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -50.65 161.53 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 t70 70.09 56.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.573 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -87.29 149.17 4.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -123.82 126.17 45.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.2 p -95.37 134.59 32.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 72.6 p -129.27 113.88 15.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -96.12 126.57 41.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.97 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -125.65 99.92 6.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.864 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.12 -90.11 1.66 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -141.15 12.49 2.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 0.0 110.839 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.432 HG23 HG23 ' B' ' 9' ' ' THR . 0.2 OUTLIER -126.37 132.06 51.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 -179.924 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.641 HG21 ' HB1' ' B' ' 16' ' ' ALA . 15.9 m -99.44 136.32 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 10.9 m -128.88 125.23 37.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -88.52 137.2 21.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.129 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -127.77 126.21 41.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.78 170.93 19.85 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -137.27 141.45 41.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.819 0.343 . . . . 0.0 110.94 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.504 HD12 ' OH ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER -107.96 138.52 44.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -103.81 35.85 2.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 104.44 105.12 2.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.491 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.47 156.17 27.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.472 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -158.13 141.9 15.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.938 0.399 . . . . 0.0 110.865 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -102.83 -57.88 1.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -169.31 -169.94 1.02 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -175.01 144.53 0.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.982 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 . . . . . 0 CA--C 1.527 0.07 0 CA-C-O 120.815 0.34 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.4 tmm_? -110.24 147.0 34.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.74 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 30.2 t -130.82 121.85 50.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 tmm_? -130.11 124.75 33.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.607 HG23 HG22 ' B' ' 8' ' ' ILE . 67.2 mt -121.83 125.14 72.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.133 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.443 ' CB ' HG23 ' A' ' 45' ' ' THR . 0.7 OUTLIER -114.02 129.63 56.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.658 HG22 HG23 ' B' ' 6' ' ' ILE . 8.6 pt -113.63 135.31 53.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.428 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -115.77 94.8 4.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.176 179.946 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.62 169.08 8.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.067 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.89 -32.32 57.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -132.42 157.8 43.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.164 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -65.06 -32.23 73.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.96 -43.15 86.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.901 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -67.05 -42.41 84.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.555 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -63.54 -43.57 96.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.129 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.96 -39.94 79.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp -63.84 -34.34 77.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.782 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 42.3 m-85 -74.3 -45.79 45.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -45.12 77.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.11 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.597 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.24 -46.87 62.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.139 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.736 HD13 ' CG1' ' B' ' 26' ' ' VAL . 14.4 mt -67.49 -49.22 73.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.498 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.5 mm? -53.66 -39.5 65.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.949 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.597 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.1 mt -60.8 -42.7 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -66.06 -42.1 89.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' B' ' 22' ' ' ILE . 16.7 t -64.69 -40.35 88.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE2' HD12 ' A' ' 23' ' ' LEU . 8.0 m-85 -69.52 -42.42 74.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.87 -45.61 91.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.02 -18.51 64.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 39.1 mt -91.21 -2.27 57.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.7 13.11 65.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.478 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.667 ' CG ' HD23 ' A' ' 50' ' ' LEU . 12.5 m-85 -93.9 34.62 1.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.913 0.387 . . . . 0.0 110.93 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -50.13 161.61 0.26 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.915 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.4 t0 70.23 57.8 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.439 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -89.05 149.0 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -123.49 122.98 39.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -104.26 136.97 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.129 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.3 p -132.89 128.88 37.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.16 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 50.9 p-90 -105.85 122.23 45.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.4 t0 -142.07 122.04 13.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 66.3 46.82 75.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.459 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.47 21.3 9.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.86 0.362 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.428 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -126.05 126.88 44.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.111 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.61 HG13 HG12 ' A' ' 8' ' ' ILE . 3.9 p -99.56 134.1 40.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.443 HG23 ' CB ' ' A' ' 7' ' ' SER . 7.1 m -132.47 128.0 36.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -93.26 138.0 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -127.48 126.04 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.94 167.31 21.09 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.451 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 pm0 -138.7 141.01 38.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.667 HD23 ' CG ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -129.48 121.53 27.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -115.74 -28.42 6.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 173.16 -58.64 0.15 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.32 -155.3 6.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.466 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -153.9 136.18 14.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 110.857 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -88.77 75.84 8.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -87.88 -19.43 27.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.884 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -51.08 123.5 9.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.843 0.354 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.85 146.96 27.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.782 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 39.7 t -131.66 127.09 58.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -130.33 122.74 28.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.658 HG23 HG22 ' A' ' 8' ' ' ILE . 62.7 mt -119.03 125.28 74.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.127 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.21 124.37 50.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.647 HG12 HG13 ' B' ' 44' ' ' VAL . 9.7 pt -110.83 135.59 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.08 105.33 15.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.141 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.614 ' HB3' ' HB2' ' B' ' 16' ' ' ALA . . . -111.48 168.97 9.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.092 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.565 ' HG3' HG22 ' B' ' 12' ' ' THR . 15.8 ptm180 -83.99 -39.96 19.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.581 HG23 ' H ' ' B' ' 15' ' ' GLU . 2.6 t -130.77 159.2 38.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -56.29 -39.13 72.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.11 -38.1 87.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.94 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.581 ' H ' HG23 ' B' ' 12' ' ' THR . 2.1 mm-40 -67.1 -52.07 46.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.642 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -60.78 -40.56 93.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.125 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.03 -39.8 79.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -59.9 -40.13 87.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.74 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 33.0 m-85 -71.44 -42.85 67.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.846 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.69 -44.19 77.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.627 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -53.5 -42.36 67.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' A' ' 26' ' ' VAL . 21.1 mt -69.31 -49.33 61.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.121 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.599 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.8 OUTLIER -54.3 -39.0 66.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.627 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.5 mt -61.93 -42.58 95.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -65.88 -42.06 90.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.736 ' CG1' HD13 ' A' ' 22' ' ' ILE . 15.4 t -64.49 -41.15 91.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.083 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.599 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.8 m-85 -68.01 -41.93 81.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.6 -45.4 94.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.94 -18.8 64.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 27.4 mt -91.63 -2.55 57.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.911 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.62 14.18 63.86 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.636 ' CD1' HD23 ' B' ' 50' ' ' LEU . 12.6 m-85 -93.84 34.9 1.17 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.92 0.39 . . . . 0.0 110.97 -179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.485 ' H ' ' ND2' ' B' ' 33' ' ' ASN . 0.6 OUTLIER -50.13 162.02 0.23 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t0 71.55 57.53 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.816 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -90.87 149.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -131.62 127.81 37.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 14.7 p -100.26 136.89 29.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.156 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.5 p -131.72 114.05 14.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -103.02 143.36 32.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.911 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -141.96 100.35 3.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.32 -86.25 1.48 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.54 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -146.31 18.59 1.37 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.866 0.365 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.18 130.12 50.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.647 HG13 HG12 ' B' ' 8' ' ' ILE . 3.3 p -105.75 132.07 53.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.6 m -128.89 127.91 42.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.136 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.407 HG12 ' HB ' ' B' ' 6' ' ' ILE . 9.7 p -91.62 139.51 17.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.088 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -126.82 126.67 43.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.79 165.06 21.75 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.519 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.7 pp0? -135.59 131.13 35.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.883 0.373 . . . . 0.0 110.943 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.636 HD23 ' CD1' ' B' ' 32' ' ' TYR . 0.5 OUTLIER -115.75 117.72 31.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.917 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 pt-20 -109.88 -26.83 9.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.854 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -151.23 162.97 29.69 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.495 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 86.93 116.85 1.06 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.3 m -151.14 168.28 25.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.92 0.39 . . . . 0.0 110.883 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -109.6 -64.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -132.8 147.57 52.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.17 139.45 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.835 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.81 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.866 0.365 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.7 tmm_? -98.52 146.93 25.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.795 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 40.8 t -131.2 124.97 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -130.3 127.32 39.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.585 HG23 HG22 ' B' ' 8' ' ' ILE . 70.4 mt -123.25 125.4 71.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -112.32 127.16 55.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.905 -179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.722 HG22 HG23 ' B' ' 6' ' ' ILE . 10.3 pt -110.88 135.14 50.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.098 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -111.27 100.18 8.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.136 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.535 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -110.51 169.09 8.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.084 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.2 ttt85 -74.2 -56.33 5.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.48 HG23 ' H ' ' A' ' 15' ' ' GLU . 3.7 t -106.28 160.52 15.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.72 -38.44 87.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.4 -32.8 71.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.535 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 6.4 mm-40 -67.11 -38.55 85.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.492 ' HB1' ' CG2' ' A' ' 44' ' ' VAL . . . -68.29 -37.01 80.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.109 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -70.02 -36.73 75.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmpm? -59.35 -34.36 72.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.916 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.58 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 21.8 m-85 -86.73 -39.38 16.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.68 -42.46 75.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -53.95 -44.63 70.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.759 HD13 ' CG1' ' B' ' 26' ' ' VAL . 18.1 mt -67.84 -49.11 72.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.542 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -53.34 -39.58 64.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.2 mt -60.54 -42.8 92.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.136 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.6 mmpt? -65.7 -42.19 91.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.754 ' CG1' HD13 ' B' ' 22' ' ' ILE . 16.9 t -64.7 -40.34 88.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.159 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.542 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.5 m-85 -69.2 -42.43 75.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.8 -45.94 90.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.11 -18.56 63.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 33.5 mt -90.77 -1.3 57.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.92 11.76 67.25 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -94.69 35.21 1.25 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.877 0.37 . . . . 0.0 110.899 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -50.16 161.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.887 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.73 59.59 0.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -91.11 149.0 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -124.75 122.71 38.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.0 p -100.4 136.99 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.14 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 41.0 p -136.87 126.73 25.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.151 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.488 ' HB3' HG12 ' A' ' 44' ' ' VAL . 53.1 p-90 -103.97 125.5 50.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.952 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -142.1 108.4 5.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.879 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.22 45.83 9.72 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.477 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 63.45 16.38 9.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.837 0.351 . . . . 0.0 110.862 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 9' ' ' THR . 0.3 OUTLIER -126.23 123.73 38.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 -179.911 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.492 ' CG2' ' HB1' ' A' ' 16' ' ' ALA . 18.4 m -96.41 136.07 28.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.093 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.9 m -128.41 124.49 36.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.13 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -89.59 138.32 19.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.111 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -126.03 117.42 23.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.9 151.41 19.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.556 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.6 pm0 -126.41 146.5 50.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.923 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.8 tp -105.79 144.3 32.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -111.54 -37.82 5.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.935 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 150.44 -38.27 0.89 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.441 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -134.98 -173.83 13.22 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.495 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.3 m -128.07 132.81 49.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.4 . . . . 0.0 110.868 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.64 72.31 2.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -55.01 147.63 15.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.49 125.62 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.828 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.2 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.824 0.345 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.88 146.85 30.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.58 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 51.9 t -128.11 125.33 64.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.29 127.49 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.722 HG23 HG22 ' A' ' 8' ' ' ILE . 61.8 mt -124.84 125.39 69.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.25 126.54 55.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.858 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.666 HG12 HG23 ' B' ' 44' ' ' VAL . 10.4 pt -110.75 135.33 50.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.15 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.25 96.88 6.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.97 169.09 8.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.102 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -74.98 -65.67 0.85 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.546 HG23 ' H ' ' B' ' 15' ' ' GLU . 6.0 t -101.44 162.87 12.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 28.0 pttt -61.37 -41.32 96.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -33.88 69.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.546 ' H ' HG23 ' B' ' 12' ' ' THR . 23.4 mt-10 -67.04 -52.17 45.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.811 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.655 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -60.53 -41.3 94.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.85 -39.89 78.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.8 mmtt -60.02 -34.44 73.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.795 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 38.2 m-85 -76.92 -42.98 37.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.72 -43.17 76.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.062 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.612 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.43 -46.06 62.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.754 HD13 ' CG1' ' A' ' 26' ' ' VAL . 14.3 mt -68.85 -49.15 66.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.592 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -52.44 -40.21 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.612 HD12 ' HA ' ' B' ' 21' ' ' ALA . 11.8 mt -59.75 -43.45 91.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.143 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.0 mmpt? -65.12 -42.14 94.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.927 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.759 ' CG1' HD13 ' A' ' 22' ' ' ILE . 17.0 t -64.68 -40.44 89.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.163 179.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.592 ' CE2' HD12 ' B' ' 23' ' ' LEU . 8.5 m-85 -68.93 -42.47 76.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.851 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -45.88 88.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.03 -18.51 64.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 31.9 mt -90.8 -2.74 57.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.99 12.57 65.77 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.463 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.67 ' CE1' HD13 ' B' ' 50' ' ' LEU . 14.7 m-85 -94.69 35.71 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.901 0.381 . . . . 0.0 110.914 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 20.7 t-20 -49.8 161.57 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 11.4 t0 70.55 59.28 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.49 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -89.95 149.07 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.58 124.48 36.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.8 p -101.24 137.0 30.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 12.0 p -131.93 114.11 14.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . 0.649 ' HB3' HG12 ' B' ' 44' ' ' VAL . 69.2 p-90 -105.46 142.52 35.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -142.05 100.09 3.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.5 -85.22 1.4 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.469 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -146.95 18.52 1.25 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.386 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.17 131.99 51.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.666 HG23 HG12 ' B' ' 8' ' ' ILE . 4.5 m -111.07 133.24 57.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.5 m -128.99 125.17 36.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -90.55 138.23 19.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.118 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -124.96 120.95 33.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -133.75 153.19 20.76 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.561 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.6 pm0 -124.74 156.59 37.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.84 0.353 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.67 HD13 ' CE1' ' B' ' 32' ' ' TYR . 17.4 tp -110.62 147.53 34.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 -33.05 38.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 105.55 110.44 3.5 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.474 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 80.36 97.64 0.34 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 7.9 m -148.57 144.82 27.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.906 0.384 . . . . 0.0 110.845 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -96.92 68.81 2.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -84.12 -169.94 2.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -179.27 146.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 tt0 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.862 0.363 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.63 147.04 29.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.875 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.688 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 38.8 t -128.89 123.01 58.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.3 ttp180 -130.11 125.36 34.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.573 HG12 HG23 ' B' ' 8' ' ' ILE . 28.7 mt -119.58 125.77 74.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.79 127.09 55.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.811 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.73 HG22 HG23 ' B' ' 6' ' ' ILE . 8.4 pt -113.24 135.34 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.128 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.04 100.96 8.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -106.32 159.01 16.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.078 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.51 ' HG3' HG22 ' A' ' 12' ' ' THR . 9.4 ptp180 -69.37 -25.22 64.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.51 HG22 ' HG3' ' A' ' 11' ' ' ARG . 1.7 t -139.86 149.84 43.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.113 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.3 pttt -56.46 -36.02 68.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.01 82.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.943 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' H ' HG23 ' A' ' 12' ' ' THR . 41.5 mt-10 -67.07 -52.21 44.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.605 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -59.84 -41.43 91.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -59.08 -39.9 83.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.829 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mmtp -62.21 -46.07 90.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.688 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 17.6 m-85 -64.62 -41.07 96.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.71 -43.18 76.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.618 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -53.77 -44.06 69.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.074 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.754 HD13 ' CG1' ' B' ' 26' ' ' VAL . 19.8 mt -68.32 -49.14 69.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.141 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.755 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -53.53 -40.62 65.65 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.939 179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.618 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.3 mt -59.75 -42.89 90.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.122 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -65.96 -42.14 90.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' B' ' 22' ' ' ILE . 18.2 t -64.55 -40.69 89.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.124 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.755 ' CE2' HD12 ' A' ' 23' ' ' LEU . 9.1 m-85 -65.97 -42.52 89.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.15 -46.11 88.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.094 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.62 -18.83 63.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.442 ' CD1' HG12 ' A' ' 26' ' ' VAL . 31.3 mt -88.61 -12.01 43.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.32 11.7 51.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.483 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.536 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 17.8 m-85 -94.07 36.39 1.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.936 0.398 . . . . 0.0 110.939 -179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.459 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -49.04 161.54 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.893 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t70 70.31 57.64 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.445 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -87.82 148.97 4.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -130.3 121.45 26.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.5 p -101.82 136.83 31.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.0 p -129.71 123.12 30.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -109.39 142.55 40.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.79 102.1 4.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.67 -78.27 2.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -153.95 21.64 0.51 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.878 0.37 . . . . 0.0 110.878 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.14 132.04 51.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.133 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.649 HG23 HG12 ' A' ' 8' ' ' ILE . 5.2 m -110.07 133.05 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 10.2 m -130.4 123.41 29.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.172 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 6' ' ' ILE . 7.9 p -88.81 139.5 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -125.2 116.49 22.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.07 147.42 17.7 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.55 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.5 pm0 -127.41 140.75 51.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.804 0.335 . . . . 0.0 110.932 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.536 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -103.92 139.86 38.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.425 ' H ' HD23 ' A' ' 50' ' ' LEU . 5.0 pt-20 -117.02 -31.95 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 76.61 113.73 0.14 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.489 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 173.81 -155.04 21.16 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.501 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 9.3 m -145.28 107.46 4.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.884 0.374 . . . . 0.0 110.862 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 58' ' ' HIS . 4.5 mm? -70.63 86.32 0.65 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.932 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -75.14 -31.49 61.08 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -120.17 9.62 11.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.426 ' HA ' HD12 ' A' ' 55' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.463 ' OE2' HD13 ' B' ' 50' ' ' LEU . 15.6 pt-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.864 0.364 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.16 140.32 52.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.688 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 58.3 t -132.2 125.02 53.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.9 tmm_? -130.32 128.17 40.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.73 HG23 HG22 ' A' ' 8' ' ' ILE . 54.4 mt -125.13 125.65 69.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.07 135.15 54.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.84 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.573 HG23 HG12 ' A' ' 6' ' ' ILE . 26.5 mt -110.58 135.33 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -101.35 73.53 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.73 149.07 24.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.095 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -78.02 -41.24 36.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -114.44 148.68 37.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.175 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -27.88 69.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.913 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 4.9 mmpt? -59.08 -43.3 91.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -67.01 -52.17 45.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.869 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.666 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -59.06 -39.32 81.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -58.44 -46.07 87.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 3.2 mmtm -60.58 -38.29 84.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.688 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 48.9 m-85 -71.35 -45.8 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.99 -43.88 78.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.122 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.54 -47.59 63.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.116 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.758 HD13 ' CG1' ' A' ' 26' ' ' VAL . 6.9 mt -68.08 -47.45 78.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.165 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.635 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.4 mm? -51.81 -40.26 60.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' B' ' 21' ' ' ALA . 9.1 mt -59.35 -43.96 91.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.14 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.7 mmpt? -65.11 -42.1 94.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.754 ' CG1' HD13 ' A' ' 22' ' ' ILE . 17.0 t -64.84 -40.31 88.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.635 ' CE2' HD12 ' B' ' 23' ' ' LEU . 10.6 m-85 -68.75 -43.11 76.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.55 -45.48 90.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.9 -18.55 64.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 32.1 mt -90.31 -12.1 38.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.929 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.27 12.16 49.68 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.567 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 20.1 m-85 -94.37 36.56 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.905 0.383 . . . . 0.0 110.92 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -49.23 161.37 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.8 t70 70.53 58.05 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.467 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.8 OUTLIER -87.64 149.02 4.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.159 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -128.58 120.54 26.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.7 p -104.57 137.01 35.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 16.4 p -134.74 113.83 12.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -97.39 136.63 37.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -138.8 99.79 3.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.849 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.89 -85.3 1.44 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.1 18.48 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.911 0.386 . . . . 0.0 110.857 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.51 121.9 33.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.666 HG11 ' HB1' ' B' ' 16' ' ' ALA . 12.5 p -95.79 130.99 43.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 26.0 m -125.15 123.0 38.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.136 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.7 p -98.11 137.21 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.149 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -120.68 117.07 26.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . 0.429 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.88 143.37 14.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.46 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.492 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.9 pm0 -125.55 146.43 49.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.888 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.567 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.4 OUTLIER -107.15 141.07 38.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.931 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.415 ' H ' HD23 ' B' ' 50' ' ' LEU . 0.1 OUTLIER -97.06 34.44 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.91 143.26 21.27 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.471 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 88.18 44.36 5.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 6.6 m -160.49 164.44 32.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.904 0.383 . . . . 0.0 110.903 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -98.58 -46.85 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -119.16 -25.56 6.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -50.89 115.44 1.52 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 9.2 p80 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.952 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.813 0.34 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.8 tmm_? -92.7 144.5 25.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 79.0 t -131.75 127.06 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.118 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -130.31 128.13 40.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.554 HD12 ' CD1' ' A' ' 23' ' ' LEU . 27.4 mt -125.09 132.09 71.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.93 132.98 56.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.713 ' O ' HG22 ' A' ' 43' ' ' THR . 28.7 mt -110.19 135.47 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.66 75.95 1.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.56 148.15 25.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -77.11 -41.55 41.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.05 147.08 37.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.155 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.14 -25.61 65.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.74 -43.04 98.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.91 -52.21 45.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.53 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -59.86 -41.22 90.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -62.24 -41.31 98.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 19.7 mmtt -67.25 -37.36 83.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -73.58 -41.76 62.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -45.89 78.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.087 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.715 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.93 -47.13 64.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.133 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.713 HD13 ' CG1' ' B' ' 26' ' ' VAL . 8.1 mt -65.07 -49.17 80.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.554 ' CD1' HD12 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -53.48 -38.7 63.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.715 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.6 mt -61.71 -42.7 95.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.1 -42.0 89.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.72 ' CG1' HD13 ' B' ' 22' ' ' ILE . 13.5 t -65.08 -40.74 89.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.1 m-85 -67.97 -41.14 82.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.38 -45.49 94.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.11 -18.58 63.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 24.5 mt -92.19 0.52 57.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.944 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 8.8 72.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.53 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -94.67 33.68 1.42 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.484 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -50.06 161.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.896 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t70 71.26 61.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.486 HD11 ' HA3' ' A' ' 48' ' ' GLY . 0.6 OUTLIER -93.74 148.96 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -137.03 132.17 33.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.02 137.43 29.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.176 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p -135.96 113.84 11.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.207 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.1 m95 -59.49 134.07 56.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.3 t0 -142.08 99.6 3.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.75 50.68 52.29 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.498 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.36 16.37 9.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.912 0.387 . . . . 0.0 110.868 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.713 HG22 ' O ' ' A' ' 8' ' ' ILE . 0.0 OUTLIER -126.47 121.61 32.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.53 HG21 ' HB1' ' A' ' 16' ' ' ALA . 35.7 m -73.18 129.39 36.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 4.2 m -125.0 115.91 21.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 7.1 p -89.87 135.22 26.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -118.11 118.67 32.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.486 ' HA3' HD11 ' A' ' 35' ' ' ILE . . . -128.76 142.45 13.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.49 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.518 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.9 pm0 -122.88 142.65 50.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.926 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 22.9 tp -93.03 148.42 22.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -114.26 -30.05 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.923 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -172.17 -121.19 0.58 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.489 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -75.45 -117.55 0.11 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.475 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 70.4 m -119.65 -48.25 2.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.872 0.368 . . . . 0.0 110.891 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 55' ' ' LEU . 4.3 mm? 50.99 57.71 6.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -65.97 147.69 52.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.37 149.53 0.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.85 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 15.6 p80 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.842 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.61 147.1 34.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.68 127.04 69.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.133 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -130.27 124.34 32.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.548 HD12 HD11 ' B' ' 23' ' ' LEU . 32.0 mt -124.3 125.78 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.89 137.28 52.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.413 HG23 HG12 ' A' ' 6' ' ' ILE . 28.0 mt -110.22 135.48 49.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.77 74.63 1.25 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' B' ' 16' ' ' ALA . . . -100.52 151.68 21.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.029 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -74.41 -41.5 60.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.89 156.94 23.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.6 pttt -70.12 -26.77 64.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -42.28 99.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -67.21 -52.08 45.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.73 ' HB1' ' CG1' ' B' ' 44' ' ' VAL . . . -61.33 -42.46 98.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.083 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -57.91 -41.03 81.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.6 mmtt -62.86 -34.91 78.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -73.9 -40.95 62.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.94 -44.53 78.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.5 -47.86 63.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.72 HD13 ' CG1' ' A' ' 26' ' ' VAL . 5.9 mt -66.56 -48.6 79.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.125 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.572 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.0 OUTLIER -51.89 -40.55 60.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.932 179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' B' ' 21' ' ' ALA . 10.0 mt -59.32 -44.75 93.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.098 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -64.12 -42.07 96.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.713 ' CG1' HD13 ' A' ' 22' ' ' ILE . 13.8 t -65.29 -40.26 88.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.121 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.572 ' CE2' HD12 ' B' ' 23' ' ' LEU . 5.7 m-85 -70.24 -42.34 72.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.7 -45.59 92.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.96 -18.57 64.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 40.7 mt -91.37 -1.66 57.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.63 12.85 66.12 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.503 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.3 m-85 -94.37 35.41 1.2 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 18.3 t-20 -49.94 161.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t70 70.55 59.17 0.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.466 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -90.75 149.11 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -125.17 123.03 38.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -110.27 137.1 44.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 9.5 p -136.36 113.85 10.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.168 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 67.0 p-90 -97.17 139.92 32.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -142.08 99.95 3.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.91 -83.44 1.59 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -150.48 19.56 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.408 HG22 ' O ' ' B' ' 8' ' ' ILE . 0.2 OUTLIER -126.27 121.75 33.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.137 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.73 ' CG1' ' HB1' ' B' ' 16' ' ' ALA . 11.8 p -99.9 130.51 48.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.125 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 42.2 m -123.08 137.58 54.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.2 p -114.94 137.06 49.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.151 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -122.32 116.61 24.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.885 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . 0.439 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.99 143.98 14.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.54 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.8 pm0 -120.29 154.3 35.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.898 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 29.6 tp -109.94 146.07 35.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.955 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -118.21 -38.35 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -66.93 -76.43 0.37 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 145.08 -81.78 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.504 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.8 m -153.57 139.57 18.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.924 0.392 . . . . 0.0 110.835 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -86.72 -70.25 0.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.963 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -141.7 -176.42 4.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -176.9 34.14 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.838 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.846 0.355 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.74 126.22 37.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.7 t -113.86 125.25 71.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.174 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -130.39 118.88 21.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.848 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.556 HD12 HD11 ' A' ' 23' ' ' LEU . 37.1 mt -115.98 125.75 73.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.115 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.34 126.03 54.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.737 HG22 HG23 ' B' ' 6' ' ' ILE . 8.5 pt -113.01 135.3 52.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.82 99.49 7.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.4 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -107.19 169.11 8.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -69.72 -52.04 29.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.482 HG23 ' H ' ' A' ' 15' ' ' GLU . 3.3 t -117.02 159.98 21.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.125 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.5 pttt -59.6 -39.92 85.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.18 -34.41 72.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.482 ' H ' HG23 ' A' ' 12' ' ' THR . 11.3 mm-40 -67.07 -52.08 46.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.634 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -62.16 -43.11 99.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.082 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -58.06 -39.77 79.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.6 mmtt -59.98 -33.18 71.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -80.21 -38.07 31.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.59 -44.14 76.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.632 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.82 -44.92 63.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.104 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' B' ' 26' ' ' VAL . 18.2 mt -68.35 -49.24 68.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.6 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -53.9 -39.35 65.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.925 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.632 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.7 mt -61.02 -42.61 93.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.127 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -65.97 -42.1 90.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.747 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.7 t -64.63 -40.68 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.6 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.9 m-85 -67.85 -42.29 81.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.53 -45.87 90.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.063 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -18.81 63.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.878 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 30' ' ' LEU . 22.4 mt -90.56 -0.54 57.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 10.69 69.15 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.495 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.638 ' CE1' HD13 ' A' ' 50' ' ' LEU . 17.0 m-85 -94.66 34.87 1.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.898 0.38 . . . . 0.0 110.913 -179.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -50.5 161.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.877 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 70.31 57.98 0.26 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.493 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -87.79 149.03 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.124 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.78 124.57 35.81 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.4 p -101.7 136.12 35.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 p -128.96 116.3 19.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.409 ' HB3' HG12 ' A' ' 44' ' ' VAL . 69.6 p-90 -104.72 142.55 34.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -141.17 100.96 3.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.821 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.04 -79.68 1.89 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.466 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -151.89 20.9 0.69 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.911 0.386 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.09 131.91 52.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.649 HG23 HG12 ' A' ' 8' ' ' ILE . 5.8 m -109.81 132.58 57.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -129.99 122.02 27.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -87.82 138.29 19.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.148 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -126.26 120.71 30.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.23 151.65 19.95 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.526 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.532 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.8 pm0 -123.58 154.77 38.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.827 0.346 . . . . 0.0 110.888 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.638 HD13 ' CE1' ' A' ' 32' ' ' TYR . 15.3 tp -112.91 151.01 31.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -123.64 -36.81 2.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 90.72 176.78 44.16 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.495 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 92.04 -116.6 5.07 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.7 m -155.36 133.47 11.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.867 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.13 83.83 3.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.907 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -61.64 -169.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -179.25 104.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.783 0.325 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -108.48 147.09 32.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.852 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 67.6 t -120.9 127.34 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 46.0 ttp180 -130.33 124.44 32.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.737 HG23 HG22 ' A' ' 8' ' ' ILE . 54.5 mt -125.21 125.72 69.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.101 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 3.0 t -114.06 136.8 52.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.862 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.502 HG23 HG12 ' A' ' 6' ' ' ILE . 27.0 mt -110.53 135.26 50.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -102.58 74.06 1.34 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.07 166.43 10.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -80.45 -71.49 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.449 HG23 ' H ' ' B' ' 15' ' ' GLU . 7.3 t -86.82 -172.48 4.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.121 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -86.45 -37.8 17.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -33.23 68.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.449 ' H ' HG23 ' B' ' 12' ' ' THR . 19.5 mt-10 -67.75 -49.39 62.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.648 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -68.44 -39.43 81.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -63.01 -36.97 85.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 7.7 mmtt -62.95 -32.03 73.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 37.8 m-85 -83.79 -39.49 19.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.84 -43.62 77.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.109 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.712 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.59 -46.86 63.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.747 HD13 ' CG1' ' A' ' 26' ' ' VAL . 7.1 mt -67.78 -48.56 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.101 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.551 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.2 mm? -51.74 -39.08 57.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.899 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' B' ' 21' ' ' ALA . 10.1 mt -60.83 -43.85 96.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.131 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -64.93 -42.09 94.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.943 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' A' ' 22' ' ' ILE . 14.4 t -65.09 -40.09 87.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.169 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.551 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.7 m-85 -70.48 -42.49 71.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.864 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.49 -45.73 91.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.99 -18.44 64.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 38.9 mt -91.46 -1.43 57.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.72 12.36 66.75 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.745 ' CE1' HD13 ' B' ' 50' ' ' LEU . 13.1 m-85 -94.25 35.79 1.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.885 0.374 . . . . 0.0 110.902 -179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -49.61 160.98 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 t0 68.52 64.79 0.33 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.848 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -92.5 148.8 4.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.114 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -125.84 120.21 29.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -100.8 137.05 29.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 71.2 p -134.91 113.91 12.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -96.82 126.03 41.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.942 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -127.15 99.86 5.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.69 -85.53 1.51 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.59 18.23 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.881 0.372 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.498 HG23 ' O ' ' B' ' 8' ' ' ILE . 5.3 m -126.43 121.7 33.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.648 HG11 ' HB1' ' B' ' 16' ' ' ALA . 12.3 p -90.6 126.68 43.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.1 m -121.08 117.68 27.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.1 p -92.98 136.16 25.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -121.79 122.93 40.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.833 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.97 149.05 19.51 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.82 153.07 35.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.793 0.33 . . . . 0.0 110.908 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.745 HD13 ' CE1' ' B' ' 32' ' ' TYR . 18.3 tp -110.84 146.7 35.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.87 36.11 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -107.81 -171.56 21.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.491 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.04 -116.32 0.67 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.517 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 61.4 m -160.85 -40.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 110.874 -179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.21 26.45 8.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.929 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -172.23 -170.07 0.69 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 2.0 p80 -174.98 44.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.878 0.371 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.95 147.03 32.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 60.0 t -131.8 124.84 54.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -130.32 121.47 26.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.683 HG23 HG22 ' B' ' 8' ' ' ILE . 64.0 mt -120.39 125.16 73.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.76 125.55 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.634 HG22 HG23 ' B' ' 6' ' ' ILE . 9.7 pt -110.91 135.62 49.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.1 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.539 HG23 HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -111.61 93.25 4.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.158 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.04 169.03 8.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.0 ttt180 -75.62 -65.96 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.515 HG23 ' H ' ' A' ' 15' ' ' GLU . 4.1 t -98.99 160.82 13.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -62.02 -40.75 96.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -57.86 -34.14 69.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.876 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.515 ' H ' HG23 ' A' ' 12' ' ' THR . 7.0 mm-40 -66.98 -52.04 47.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.84 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.632 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.84 -40.76 89.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.082 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.98 -39.99 79.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -62.01 -38.59 89.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.942 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.785 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 32.2 m-85 -70.01 -45.0 68.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.76 -43.26 76.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.102 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.604 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.33 -46.06 62.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.764 HD13 ' CG1' ' B' ' 26' ' ' VAL . 15.0 mt -69.11 -49.15 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.616 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.0 OUTLIER -52.45 -40.64 62.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 179.943 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.604 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.7 mt -59.07 -42.82 87.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -66.05 -42.07 89.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' B' ' 22' ' ' ILE . 16.7 t -64.45 -40.39 88.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.087 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.616 ' CE2' HD12 ' A' ' 23' ' ' LEU . 8.1 m-85 -69.63 -42.5 74.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.13 -45.5 91.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.114 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -68.94 -18.54 64.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 26.1 mt -91.21 -2.35 57.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 13.45 64.6 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.465 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -94.66 34.98 1.26 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.858 0.361 . . . . 0.0 110.889 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -49.84 161.52 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 70.42 56.09 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.477 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -86.6 149.01 4.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.89 124.44 35.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.8 p -101.46 137.06 30.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 p -130.83 116.25 17.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.118 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.1 p-90 -101.49 142.41 32.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -141.91 101.42 3.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.824 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.35 -85.27 1.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -147.58 18.81 1.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.874 0.369 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.539 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -126.12 126.84 44.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.124 -179.873 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.632 HG11 ' HB1' ' A' ' 16' ' ' ALA . 3.5 p -102.39 132.69 47.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.4 m -128.61 128.66 44.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -93.97 138.6 20.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -125.69 119.69 28.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.83 152.29 19.59 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.505 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.503 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.8 pm0 -127.31 150.88 49.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.913 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.1 tp -113.91 149.32 35.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -116.07 -28.14 6.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.49 77.85 0.45 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.0 -126.89 1.04 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.525 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -146.29 129.5 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -95.9 65.71 2.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.957 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -69.86 -19.12 63.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -51.06 145.06 8.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.839 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 19.9 p-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.833 0.349 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -102.5 147.07 27.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.785 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 45.0 t -131.76 125.11 55.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -130.41 125.62 34.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.824 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.634 HG23 HG22 ' A' ' 8' ' ' ILE . 68.7 mt -120.85 125.38 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.107 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.39 125.43 53.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.683 HG22 HG23 ' A' ' 6' ' ' ILE . 9.6 pt -111.44 135.45 50.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.31 114.45 25.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.91 169.02 12.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -75.22 -40.2 59.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -121.91 158.28 29.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.158 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -63.86 -37.0 85.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.893 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 10.6 mmpt? -57.99 -34.87 70.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.821 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.01 -33.77 76.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 1.016 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -68.22 -43.64 77.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.114 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -65.07 -36.91 85.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.837 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -60.36 -31.93 70.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -90.82 -39.97 12.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.52 -41.76 73.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.092 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.633 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -54.51 -44.56 72.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.758 HD13 ' CG1' ' A' ' 26' ' ' VAL . 16.5 mt -68.24 -49.03 70.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.594 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.8 OUTLIER -52.64 -40.37 62.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.633 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.4 mt -59.75 -43.91 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.146 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -64.58 -42.12 95.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.764 ' CG1' HD13 ' A' ' 22' ' ' ILE . 17.5 t -64.81 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.594 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.0 m-85 -68.92 -42.36 76.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.63 -45.84 90.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.12 -18.53 63.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 24.8 mt -91.02 -0.84 57.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.83 11.38 68.09 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.512 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -94.73 35.11 1.26 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.941 0.4 . . . . 0.0 110.951 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -50.4 161.72 0.28 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t70 70.61 58.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.478 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -89.29 148.88 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.165 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -127.08 124.98 40.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -102.12 136.94 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 17.3 p -131.89 126.12 33.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.144 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 55.3 p-90 -104.44 120.71 41.85 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.914 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -142.29 125.64 16.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 64.45 46.6 89.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.488 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.25 21.11 9.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.882 0.372 . . . . 0.0 110.892 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.1 132.08 51.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 1.016 HG21 ' HB1' ' B' ' 16' ' ' ALA . 6.5 m -104.0 132.42 50.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 10.8 m -131.42 126.67 35.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.6 p -91.04 138.64 19.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -125.92 119.94 29.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.9 151.52 19.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.56 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.6 pm0 -125.86 153.75 43.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.824 0.345 . . . . 0.0 110.898 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 45.1 tp -110.19 141.71 42.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -112.72 -31.36 6.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.902 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 154.62 72.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.494 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -157.87 165.14 33.52 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.496 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.4 m -154.58 -63.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.892 0.377 . . . . 0.0 110.832 -179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 50.75 34.8 10.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.93 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -72.28 147.41 46.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.13 143.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.972 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.862 0.363 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -92.91 122.39 35.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.848 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 61.8 t -112.38 124.05 68.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.105 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 ttt180 -130.21 121.33 26.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.604 HD12 HD11 ' A' ' 23' ' ' LEU . 24.2 mt -117.05 125.68 74.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.171 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.98 125.06 51.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.76 HG22 HG23 ' B' ' 6' ' ' ILE . 8.9 pt -112.4 135.28 52.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.48 97.02 6.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.76 169.06 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.629 ' HG3' HG22 ' A' ' 12' ' ' THR . 7.2 ptm180 -74.03 -34.97 64.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.868 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.629 HG22 ' HG3' ' A' ' 11' ' ' ARG . 2.1 t -137.98 158.79 43.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.159 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 12.3 pttt -56.5 -40.45 75.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.82 -38.02 77.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.49 ' H ' HG23 ' A' ' 12' ' ' THR . 10.2 mm-40 -66.95 -52.08 47.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.687 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -61.37 -42.26 98.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -58.14 -39.87 79.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -60.49 -32.27 71.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -80.67 -38.54 28.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.872 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.17 77.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.115 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.636 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.74 -45.77 63.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.075 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' B' ' 26' ' ' VAL . 15.3 mt -67.72 -49.11 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.158 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.604 HD11 HD12 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -53.8 -39.65 65.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.945 179.881 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.6 mt -60.65 -42.67 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.8 mmpt? -66.04 -42.12 89.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.741 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.5 t -64.55 -40.59 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.097 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.567 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.9 m-85 -69.05 -42.17 76.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.873 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -45.75 91.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -18.57 63.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 34.4 mt -90.72 -0.18 57.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.97 10.19 69.68 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.477 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.742 ' CE1' HD13 ' A' ' 50' ' ' LEU . 17.8 m-85 -94.59 34.32 1.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.909 0.385 . . . . 0.0 110.887 -179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.487 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -50.33 161.77 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.877 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.4 t70 70.55 57.99 0.24 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.495 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -88.16 146.35 6.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.166 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -124.78 125.6 44.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -102.54 134.98 41.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.095 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 16.7 p -130.07 127.27 39.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -111.7 140.49 46.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.934 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -136.83 100.52 4.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.78 -78.51 2.0 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -153.41 21.24 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.913 0.387 . . . . 0.0 110.92 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.08 131.97 52.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.687 HG11 ' HB1' ' A' ' 16' ' ' ALA . 2.8 p -106.7 132.77 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.125 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 20.5 m -130.65 126.44 36.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.139 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -91.05 138.63 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.096 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -126.07 120.78 31.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.23 151.7 19.52 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.544 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.6 pm0 -126.85 141.45 51.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.917 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.742 HD13 ' CE1' ' A' ' 32' ' ' TYR . 15.4 tp -97.16 148.12 23.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.42 -33.4 4.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.89 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 157.95 -86.12 0.12 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.457 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 178.68 132.18 1.69 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.471 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 72.4 m -161.83 -40.76 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.888 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.04 26.58 8.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 tt0 -79.41 163.3 24.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.29 138.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.862 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.7 tmm_? -92.78 138.21 31.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 90.8 t -125.86 129.95 72.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.096 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.586 ' NE ' HG21 ' B' ' 45' ' ' THR . 20.9 ttt85 -130.41 123.21 29.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.76 HG23 HG22 ' A' ' 8' ' ' ILE . 55.3 mt -125.14 125.74 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.176 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 2.6 t -114.68 137.01 52.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.835 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.537 HG23 HG12 ' A' ' 6' ' ' ILE . 27.2 mt -110.46 135.37 49.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -102.26 73.68 1.37 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.096 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.01 164.57 11.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -77.1 -68.11 0.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.433 HG23 ' H ' ' B' ' 15' ' ' GLU . 8.6 t -96.96 164.4 12.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.099 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -64.72 -30.85 71.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -58.53 -43.1 89.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.913 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.433 ' H ' HG23 ' B' ' 12' ' ' THR . 0.8 OUTLIER -64.82 -52.14 58.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.643 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -60.47 -38.23 83.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.093 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -64.87 -39.9 94.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -59.91 -32.09 70.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.831 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.407 ' HB2' HD13 ' B' ' 8' ' ' ILE . 44.5 m-85 -83.04 -39.5 21.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.907 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.88 -43.61 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.109 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.701 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.36 -47.11 62.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.741 HD13 ' CG1' ' A' ' 26' ' ' VAL . 6.6 mt -67.89 -48.3 75.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.126 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.575 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -51.72 -39.7 58.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' B' ' 21' ' ' ALA . 9.8 mt -60.18 -44.5 95.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -64.35 -42.01 96.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' A' ' 22' ' ' ILE . 14.0 t -65.2 -40.15 87.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.11 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.575 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.5 m-85 -70.37 -42.43 71.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.67 -45.7 91.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.0 -18.42 64.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.842 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 37.9 mt -91.4 -2.2 57.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.73 13.26 65.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.493 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.611 ' CE1' HD13 ' B' ' 50' ' ' LEU . 13.2 m-85 -94.42 35.04 1.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.956 0.407 . . . . 0.0 110.967 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -49.69 161.47 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 70.54 56.34 0.26 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.871 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.467 HD11 ' HA3' ' B' ' 48' ' ' GLY . 0.7 OUTLIER -85.97 149.03 4.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.181 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -127.48 121.51 30.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 9.9 p -101.36 136.73 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.179 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 81.4 p -135.18 113.79 11.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.138 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -96.29 126.66 41.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -127.61 99.84 5.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.4 -85.25 1.52 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -149.7 18.25 0.91 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.847 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.482 HG23 ' O ' ' B' ' 8' ' ' ILE . 4.2 m -126.4 121.72 33.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.129 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.643 HG11 ' HB1' ' B' ' 16' ' ' ALA . 12.2 p -90.42 127.02 43.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . 0.586 HG21 ' NE ' ' B' ' 5' ' ' ARG . 7.0 m -121.2 121.08 37.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.8 p -97.14 136.31 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.095 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 72.4 mt-10 -119.46 116.74 26.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . 0.467 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.84 141.58 12.71 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.53 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.438 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 2.4 pm0 -121.19 144.33 48.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 0.0 110.904 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.611 HD13 ' CE1' ' B' ' 32' ' ' TYR . 20.4 tp -94.29 144.44 25.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -99.2 33.82 2.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -78.75 -52.17 5.15 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.73 -39.16 97.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.524 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 13.8 m 62.81 101.09 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 0.0 110.83 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -78.16 85.6 4.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 44.0 -163.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.77 -43.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.827 0.346 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -92.58 127.44 38.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.774 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 44.6 t -107.91 127.61 63.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.185 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.578 ' CZ ' HG21 ' A' ' 45' ' ' THR . 42.0 ttt85 -130.14 119.02 22.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.684 HG23 HG22 ' B' ' 8' ' ' ILE . 64.1 mt -117.03 125.4 73.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.16 119.11 38.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.69 HG22 HG23 ' B' ' 6' ' ' ILE . 14.5 pt -110.1 135.14 50.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.078 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.97 126.76 55.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . . . -129.82 168.91 15.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.402 ' HG3' HG22 ' A' ' 12' ' ' THR . 10.6 ptm180 -73.85 -30.86 62.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.554 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.1 t -141.98 153.66 44.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.9 pttt -53.69 -36.55 62.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mmpp? -63.47 -37.89 89.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.926 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.554 ' H ' HG23 ' A' ' 12' ' ' THR . 2.0 mm-40 -66.81 -52.08 48.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.58 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -64.2 -36.21 83.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.085 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -57.79 -39.88 78.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.907 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.8 mmtm -62.62 -31.94 72.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -77.02 -42.28 39.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.51 -42.5 74.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.086 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.654 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -54.68 -43.26 72.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.748 HD13 ' CG1' ' B' ' 26' ' ' VAL . 19.5 mt -68.54 -49.01 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.644 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -53.07 -39.48 63.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.654 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.9 mt -61.11 -43.48 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.151 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.87 -42.19 95.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.749 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.7 t -64.64 -40.41 88.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.133 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.644 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.5 m-85 -67.76 -42.19 82.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.67 -44.91 96.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.144 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.35 -18.44 64.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 15.2 mt -93.39 -0.39 56.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 11.73 67.94 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.495 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.665 ' CD1' HD23 ' A' ' 50' ' ' LEU . 12.2 m-85 -94.31 32.81 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.867 0.365 . . . . 0.0 110.906 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.487 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -50.17 161.47 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.902 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 69.86 59.08 0.28 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.429 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -89.58 149.16 4.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.148 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -125.7 126.59 44.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -103.04 135.81 38.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.136 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 81.3 p -132.09 116.19 16.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.166 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 55.0 p-90 -103.14 123.36 46.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.931 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 33.4 t0 -142.09 103.07 4.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.74 50.57 3.49 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.517 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 52.29 29.67 7.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.885 0.374 . . . . 0.0 110.828 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 m -122.18 132.13 54.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.104 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.58 HG21 ' HB1' ' A' ' 16' ' ' ALA . 52.9 t -94.6 131.75 40.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.187 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.578 HG21 ' CZ ' ' A' ' 5' ' ' ARG . 96.8 m -142.51 136.25 29.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.14 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 10.0 p -115.85 136.75 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.082 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -125.99 128.4 47.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -134.39 160.53 24.21 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.517 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.518 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.7 pm0 -128.72 141.87 51.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.857 0.36 . . . . 0.0 110.903 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.665 HD23 ' CD1' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -120.27 134.84 55.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.609 ' N ' HD13 ' A' ' 50' ' ' LEU . 2.5 tt0 -102.96 -45.94 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.95 94.6 2.14 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.27 73.49 0.74 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.455 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.53 ' C ' HD22 ' A' ' 55' ' ' LEU . 1.4 m -132.85 177.23 7.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.909 0.385 . . . . 0.0 110.84 -179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.53 HD22 ' C ' ' A' ' 54' ' ' SER . 4.5 mm? -125.91 -69.94 0.76 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -158.68 -169.95 2.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.26 159.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.839 0.352 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -92.57 130.42 38.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 58.5 t -107.91 126.42 64.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -130.27 121.07 25.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.69 HG23 HG22 ' A' ' 8' ' ' ILE . 72.4 mt -119.89 125.05 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.113 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.48 124.89 53.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.684 HG22 HG23 ' A' ' 6' ' ' ILE . 9.0 pt -110.82 135.3 50.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.168 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.546 HG23 HG23 ' B' ' 43' ' ' THR . 1.2 m -114.13 100.56 8.47 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -107.74 169.05 8.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.116 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -78.3 -39.96 38.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.873 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.419 HG23 ' H ' ' B' ' 15' ' ' GLU . 1.7 t -122.79 158.34 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.152 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 14.0 ptmt -64.5 -38.66 91.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.868 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 1.6 mmpt? -57.91 -36.45 72.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.925 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.419 ' H ' HG23 ' B' ' 12' ' ' THR . 16.3 mm-40 -67.09 -52.07 46.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.733 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -58.8 -40.55 84.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.066 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -57.83 -39.87 78.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.928 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 mmtt -64.59 -33.79 76.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.774 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 31.2 m-85 -72.9 -44.19 61.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.76 -44.39 77.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.598 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.22 -46.17 62.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.079 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.749 HD13 ' CG1' ' A' ' 26' ' ' VAL . 19.6 mt -68.65 -49.24 66.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.127 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.52 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -53.35 -39.6 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.902 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.4 mt -60.38 -42.84 92.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mmpt? -66.08 -42.17 89.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.936 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.748 ' CG1' HD13 ' A' ' 22' ' ' ILE . 16.1 t -64.8 -40.32 88.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.116 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.52 ' CE2' HD12 ' B' ' 23' ' ' LEU . 5.6 m-85 -69.39 -42.11 75.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.1 -45.43 93.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.043 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.96 -18.54 64.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.594 HD12 ' O ' ' B' ' 26' ' ' VAL . 5.1 mt -91.97 0.31 57.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.64 9.97 71.0 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.472 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.665 ' CD1' HD23 ' B' ' 50' ' ' LEU . 14.7 m-85 -94.03 33.3 1.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.905 0.383 . . . . 0.0 110.96 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -50.4 161.35 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.925 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 t70 69.11 59.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.496 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -89.08 149.2 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.154 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -129.22 128.61 43.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.451 ' CG2' HG23 ' B' ' 44' ' ' VAL . 8.9 p -98.48 137.09 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.168 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 24.4 p -136.85 114.91 11.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.163 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 51.9 m95 -66.36 134.82 53.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.03 121.27 13.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.9 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 53.17 46.78 62.19 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.438 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.63 18.12 10.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.883 0.373 . . . . 0.0 110.831 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.569 HG22 ' O ' ' B' ' 8' ' ' ILE . 0.2 OUTLIER -126.19 121.41 32.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.733 HG11 ' HB1' ' B' ' 16' ' ' ALA . 3.3 p -71.26 130.99 35.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.15 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.8 m -129.48 133.5 47.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -99.18 137.46 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.142 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -128.62 129.0 45.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -132.49 170.86 21.78 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.479 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -133.82 146.69 50.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.962 -179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.665 HD23 ' CD1' ' B' ' 32' ' ' TYR . 0.6 OUTLIER -124.77 130.33 52.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.514 ' N ' HD13 ' B' ' 50' ' ' LEU . 3.1 tt0 -95.34 -47.35 6.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 158.18 73.36 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.523 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -76.68 -169.48 30.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.502 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -109.81 -60.08 1.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.908 0.385 . . . . 0.0 110.868 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? 50.86 62.49 2.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -57.48 147.67 25.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.26 122.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 7.7 t-80 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -105.52 140.04 39.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.761 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 40.8 t -132.08 129.57 60.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.46 118.87 21.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.658 HG23 HG22 ' B' ' 8' ' ' ILE . 64.8 mt -116.55 125.39 73.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -108.52 118.6 37.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.644 HG22 HG23 ' B' ' 6' ' ' ILE . 13.9 pt -110.0 135.12 49.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.33 129.14 56.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.568 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . . . -132.85 165.1 25.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.58 ' HG3' HG22 ' A' ' 12' ' ' THR . 10.1 ptt180 -71.9 -37.12 70.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.865 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.593 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.6 t -134.25 156.94 47.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.35 -35.96 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -38.29 90.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.593 ' H ' HG23 ' A' ' 12' ' ' THR . 2.7 mm-40 -67.01 -52.11 46.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.722 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -62.54 -37.44 86.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.08 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -57.87 -39.9 78.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -62.58 -31.97 72.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -76.66 -43.5 37.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.48 -42.57 74.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.092 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.652 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -55.04 -42.16 72.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.075 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.742 HD13 ' CG1' ' B' ' 26' ' ' VAL . 21.8 mt -69.06 -48.93 66.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.141 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.589 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -53.62 -39.24 64.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.871 179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.652 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.0 mt -61.57 -43.15 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -65.31 -42.22 93.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.747 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.6 t -64.47 -40.51 89.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.589 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.2 m-85 -69.42 -39.52 77.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.33 94.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.88 -18.46 64.13 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 53.5 mt -92.42 -2.68 56.14 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.78 14.03 63.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.48 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.414 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.8 m-85 -93.77 34.79 1.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.906 0.384 . . . . 0.0 110.907 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.484 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -49.97 161.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.5 t70 69.28 64.61 0.27 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -93.85 144.83 8.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.16 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -122.26 123.87 42.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 45' ' ' THR . 11.2 p -101.88 135.01 40.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 82.3 p -128.89 116.94 20.18 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.184 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 49.4 p-90 -106.45 122.75 46.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -117.43 105.61 12.31 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.48 -73.38 2.39 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.488 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.72 26.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.368 . . . . 0.0 110.918 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -116.47 132.14 56.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.722 HG21 ' HB1' ' A' ' 16' ' ' ALA . 61.6 t -93.64 132.6 37.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 37' ' ' VAL . 96.7 m -142.4 138.11 30.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.132 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.4 p -118.65 139.18 46.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -126.34 121.69 33.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -131.84 148.57 19.09 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.476 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -119.74 150.38 40.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.481 HD13 ' C ' ' A' ' 50' ' ' LEU . 2.9 tm? -137.96 125.47 22.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' N ' HD22 ' A' ' 50' ' ' LEU . 4.5 pt-20 -121.2 -35.9 3.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -153.53 -92.26 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.447 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.42 164.18 1.64 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.483 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 m -156.17 159.39 38.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -107.09 -60.07 1.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.904 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -144.66 -169.99 3.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.25 100.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.836 0.35 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -126.93 137.45 53.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 62.6 t -132.16 125.95 55.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 -130.42 119.37 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.828 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.644 HG23 HG22 ' A' ' 8' ' ' ILE . 72.9 mt -116.23 125.24 73.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.37 125.44 54.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.658 HG22 HG23 ' A' ' 6' ' ' ILE . 8.2 pt -112.18 135.44 51.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.089 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.89 93.39 4.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.123 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.88 169.43 8.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.111 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 2.5 mtp180 -71.97 -63.59 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.919 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.454 HG23 ' H ' ' B' ' 15' ' ' GLU . 7.9 t -94.8 -172.19 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 11.1 ptpt -88.0 -38.16 15.74 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.63 -32.8 67.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.454 ' H ' HG23 ' B' ' 12' ' ' THR . 0.3 OUTLIER -67.18 -36.58 82.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.937 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.768 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -68.48 -37.07 79.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -70.06 -37.12 75.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -61.83 -33.65 74.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.951 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.761 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 41.2 m-85 -82.21 -45.26 15.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.13 78.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.521 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.6 -46.96 63.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.747 HD13 ' CG1' ' A' ' 26' ' ' VAL . 22.4 mt -68.96 -49.19 65.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.493 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -52.51 -41.7 63.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.521 HD12 ' HA ' ' B' ' 21' ' ' ALA . 13.3 mt -58.62 -42.91 86.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.134 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -66.18 -42.14 89.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.742 ' CG1' HD13 ' A' ' 22' ' ' ILE . 18.5 t -63.65 -41.27 92.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.133 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.493 ' CE2' HD12 ' B' ' 23' ' ' LEU . 7.9 m-85 -67.75 -42.07 82.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.863 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.35 94.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.112 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -68.95 -18.85 64.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 28.1 mt -91.55 -2.42 57.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.77 13.04 65.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.499 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.583 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 16.6 m-85 -94.62 35.48 1.23 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -50.49 161.66 0.3 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 3.3 t0 70.58 57.12 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.422 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -86.17 146.69 6.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.152 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -126.78 123.15 36.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.0 p -100.6 137.06 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 12.8 p -131.19 118.27 20.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 70.1 p-90 -104.42 142.21 35.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -141.93 103.24 4.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.16 -83.44 1.62 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -149.36 19.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.15 132.1 51.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.125 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.768 HG11 ' HB1' ' B' ' 16' ' ' ALA . 3.5 p -108.2 133.43 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.143 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 11.7 m -130.54 126.41 36.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.422 HG12 ' HB ' ' B' ' 6' ' ' ILE . 8.9 p -91.79 139.26 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -124.66 119.71 29.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.87 149.61 18.5 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.52 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.513 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.6 pm0 -129.26 141.05 51.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.928 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.583 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER -105.14 139.51 39.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.414 ' H ' HD23 ' B' ' 50' ' ' LEU . 0.0 OUTLIER -120.03 -32.83 4.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -166.94 -77.34 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -176.66 168.29 40.22 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.508 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -159.19 -60.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.83 -179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER 50.83 54.67 10.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -84.94 147.67 26.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.25 158.0 0.85 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 34.4 m80 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.984 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.853 0.358 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.82 135.66 38.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.683 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 41.1 t -120.4 128.6 76.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.145 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.406 ' HG3' HG22 ' A' ' 45' ' ' THR . 5.6 ttp180 -130.04 127.57 40.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.678 HG23 HG22 ' B' ' 8' ' ' ILE . 75.3 mt -123.99 125.7 71.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.08 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.45 119.05 38.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.714 HG22 ' CG2' ' B' ' 6' ' ' ILE . 2.1 pp -115.43 130.35 70.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.675 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -110.22 147.8 33.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.088 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.685 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -146.12 165.84 27.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -63.52 -49.1 74.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.807 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 14.4 t -128.45 174.27 9.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.166 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 pttm -61.73 -37.42 84.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.73 -39.13 90.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.685 ' HB3' ' HB1' ' A' ' 10' ' ' ALA . 53.1 mm-40 -67.19 -51.12 57.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.46 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.85 -39.68 86.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.103 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -39.98 85.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.9 mmtm -60.99 -45.57 94.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.786 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 40.1 m-85 -66.54 -46.8 74.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -43.88 76.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.117 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.698 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -55.76 -45.18 78.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.759 HD13 HG11 ' B' ' 26' ' ' VAL . 19.9 mt -64.02 -49.1 83.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.106 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.72 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -54.38 -41.58 69.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.913 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.698 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.6 mt -59.45 -42.8 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.156 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -65.12 -42.25 94.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.802 HG11 HD13 ' B' ' 22' ' ' ILE . 16.6 t -64.79 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.72 ' CE2' HD12 ' A' ' 23' ' ' LEU . 9.9 m-85 -65.55 -42.26 92.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -45.69 91.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -68.93 -18.89 64.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.443 ' CD1' HG12 ' A' ' 26' ' ' VAL . 17.0 mt -91.03 -2.11 57.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.75 12.49 66.46 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.463 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.647 ' CG ' HD23 ' A' ' 50' ' ' LEU . 12.7 m-85 -94.24 34.9 1.22 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.906 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -49.41 161.92 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.906 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.6 t0 71.9 56.29 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.509 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -90.71 149.26 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.134 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -130.79 126.92 37.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 14.5 p -98.6 137.09 27.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.137 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.1 p -131.52 113.94 14.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.171 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -101.33 141.03 34.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -142.06 99.93 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.26 -88.52 1.52 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -144.77 17.22 1.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.806 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.675 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -126.18 132.18 51.85 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.158 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.46 HG11 ' HB1' ' A' ' 16' ' ' ALA . 2.5 p -107.27 132.56 54.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.101 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.406 HG22 ' HG3' ' A' ' 5' ' ' ARG . 9.2 m -127.95 132.37 49.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.401 HG11 ' HE2' ' A' ' 27' ' ' PHE . 9.5 p -94.62 139.45 18.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.084 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -127.11 124.48 39.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.77 165.71 21.51 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -135.09 132.74 38.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 110.919 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.647 HD23 ' CG ' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -116.7 117.47 29.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.912 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.4 pt-20 -108.65 -30.32 8.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.52 -57.66 0.16 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 157.47 -106.65 0.3 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.489 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.62 ' C ' HD22 ' A' ' 55' ' ' LEU . 0.7 OUTLIER 63.13 161.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.62 HD22 ' C ' ' A' ' 54' ' ' SER . 4.3 mm? -127.52 63.32 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.35 -75.59 0.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 51.94 -170.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.839 0.352 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -93.08 147.05 23.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.786 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 41.3 t -122.06 123.83 69.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.122 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -130.33 127.64 39.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.714 ' CG2' HG22 ' A' ' 8' ' ' ILE . 84.6 mt -125.03 125.69 69.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.138 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.71 129.87 56.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.678 HG22 HG23 ' A' ' 6' ' ' ILE . 12.4 pt -110.78 135.21 50.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.131 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.97 93.79 4.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.147 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.87 169.11 8.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -83.78 -44.14 14.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.428 HG23 ' H ' ' B' ' 15' ' ' GLU . 1.6 t -111.41 158.05 19.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -36.46 83.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.98 -41.16 82.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.428 ' H ' HG23 ' B' ' 12' ' ' THR . 33.3 mt-10 -62.88 -33.95 76.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.749 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -68.33 -37.04 80.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.068 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -70.07 -37.19 75.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 33.0 mmtt -63.5 -36.95 85.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.683 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 27.5 m-85 -77.59 -44.63 27.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.61 -44.71 77.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.646 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.63 -46.55 63.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.802 HD13 HG11 ' A' ' 26' ' ' VAL . 14.8 mt -66.71 -49.19 76.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.151 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.508 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.2 mm? -54.06 -39.14 66.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.91 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.646 HD12 ' HA ' ' B' ' 21' ' ' ALA . 11.5 mt -61.41 -42.52 94.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -65.94 -42.13 90.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.759 HG11 HD13 ' A' ' 22' ' ' ILE . 15.6 t -64.68 -40.65 89.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.147 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.508 ' CE2' HD12 ' B' ' 23' ' ' LEU . 7.1 m-85 -68.04 -42.69 80.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.96 -45.66 91.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.103 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.11 -18.8 64.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 27.9 mt -89.7 -9.98 47.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 95.56 12.11 54.29 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.544 ' OH ' HD12 ' B' ' 50' ' ' LEU . 18.9 m-85 -94.34 36.01 1.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.941 0.4 . . . . 0.0 110.922 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -49.59 161.46 0.21 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 70.45 57.69 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.447 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -88.18 149.1 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -128.29 123.52 34.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.99 137.05 28.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 10.9 p -131.88 113.99 14.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.177 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . 0.764 ' HB3' HG12 ' B' ' 44' ' ' VAL . 67.6 p-90 -108.98 142.3 39.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -141.92 99.97 3.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.95 -84.99 1.29 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -147.14 18.72 1.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.872 0.368 . . . . 0.0 110.834 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.15 131.27 52.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.117 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.764 HG12 ' HB3' ' B' ' 39' ' ' TRP . 4.0 m -112.55 134.91 53.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.117 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 6.4 m -131.75 125.55 32.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.19 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -90.42 137.03 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.102 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -121.15 120.2 34.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.88 150.79 18.85 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.45 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 2.3 pm0 -125.79 144.91 50.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.875 -179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.544 HD12 ' OH ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER -107.74 139.51 42.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.424 ' H ' HD23 ' B' ' 50' ' ' LEU . 4.3 pt-20 -100.27 40.47 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -82.46 -28.75 38.57 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.444 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -152.59 36.1 0.8 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.475 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 4.0 m -121.06 -60.68 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.903 0.382 . . . . 0.0 110.819 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 18.7 mt 50.74 38.99 20.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -75.74 147.73 39.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.918 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.4 -58.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -92.68 129.74 38.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 51.4 t -107.97 123.71 63.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 -130.27 122.76 28.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.931 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.669 HG23 HG22 ' B' ' 8' ' ' ILE . 64.2 mt -120.14 125.31 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.129 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.57 124.88 52.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.828 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.665 HG22 HG23 ' B' ' 6' ' ' ILE . 9.6 pt -110.98 135.43 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.146 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.469 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -111.85 102.27 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.145 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -110.15 169.01 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.582 ' HG3' HG22 ' A' ' 12' ' ' THR . 13.9 ptt180 -72.3 -41.67 66.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.582 HG22 ' HG3' ' A' ' 11' ' ' ARG . 3.4 t -132.5 160.29 36.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.172 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -58.74 -37.34 75.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.06 -41.16 82.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.894 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.493 ' H ' HG23 ' A' ' 12' ' ' THR . 0.3 OUTLIER -67.13 -52.06 46.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.903 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.654 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.55 -41.32 89.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.0 -39.87 79.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -60.58 -37.47 81.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -74.23 -39.64 62.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.856 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.65 -42.48 75.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.097 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.648 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -54.04 -44.71 71.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.758 HD13 ' CG1' ' B' ' 26' ' ' VAL . 16.2 mt -67.91 -49.22 70.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.549 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.8 OUTLIER -53.01 -38.98 62.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.907 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.648 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.4 mt -61.13 -42.96 95.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -65.59 -42.15 92.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.751 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.9 t -64.9 -40.33 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.1 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.549 ' CE2' HD12 ' A' ' 23' ' ' LEU . 5.2 m-85 -69.12 -41.52 77.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.66 92.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.064 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.13 -18.6 63.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.62 HD12 ' O ' ' A' ' 26' ' ' VAL . 2.3 mt -91.67 1.08 57.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 8.57 73.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.46 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.62 ' CG ' HD23 ' A' ' 50' ' ' LEU . 28.4 m-85 -94.46 33.48 1.41 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.87 0.367 . . . . 0.0 110.919 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.84 161.09 0.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 t70 68.52 61.55 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.478 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -89.82 149.12 4.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.154 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -122.99 125.11 44.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -100.82 135.54 36.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.5 p -130.51 120.72 24.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.157 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 68.3 p-90 -106.59 142.7 35.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -139.96 100.1 3.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.18 -79.34 1.92 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.503 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -152.13 20.4 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.907 0.384 . . . . 0.0 110.868 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.469 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -126.14 129.69 49.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.654 HG11 ' HB1' ' A' ' 16' ' ' ALA . 2.9 p -106.22 133.3 51.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.113 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 11.4 m -131.71 127.64 37.28 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.67 137.73 21.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.17 127.97 45.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.931 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.73 171.03 19.79 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.478 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.02 147.59 48.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.62 HD23 ' CG ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -131.75 137.28 48.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.527 ' N ' HD13 ' A' ' 50' ' ' LEU . 0.9 OUTLIER -120.44 -37.48 3.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.882 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.62 119.1 8.8 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.5 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 104.18 67.97 0.74 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.491 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.9 m -130.65 105.01 7.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.898 0.38 . . . . 0.0 110.9 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -88.51 76.22 8.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.4 154.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -151.48 -54.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -92.8 129.0 38.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 57.8 t -107.99 125.19 64.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 ttt85 -130.33 121.76 26.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.835 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.665 HG23 HG22 ' A' ' 8' ' ' ILE . 66.1 mt -119.75 125.4 74.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.133 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.28 125.67 54.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.669 HG22 HG23 ' A' ' 6' ' ' ILE . 10.2 pt -110.92 135.43 50.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.163 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.44 95.63 5.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.164 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.66 168.86 8.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.122 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.631 ' HG3' HG22 ' B' ' 12' ' ' THR . 15.4 ptm180 -72.3 -38.45 68.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.631 HG22 ' HG3' ' B' ' 11' ' ' ARG . 2.1 t -133.97 158.71 42.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.25 -39.61 79.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.3 -38.49 77.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.482 ' H ' HG23 ' B' ' 12' ' ' THR . 3.3 mm-40 -67.0 -51.94 48.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.907 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.544 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -60.39 -40.47 91.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -57.98 -39.91 79.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -60.63 -32.67 71.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 23.5 m-85 -79.5 -39.12 32.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.55 -42.33 74.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -53.83 -44.77 70.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.751 HD13 ' CG1' ' A' ' 26' ' ' VAL . 14.7 mt -68.1 -49.25 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.533 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.0 OUTLIER -52.71 -39.36 61.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.927 179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.2 mt -60.66 -42.66 92.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -65.91 -42.13 90.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' A' ' 22' ' ' ILE . 15.8 t -64.13 -40.59 89.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.102 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.533 ' CE2' HD12 ' B' ' 23' ' ' LEU . 7.2 m-85 -69.95 -42.31 73.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.54 -45.31 93.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.101 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -18.7 64.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.586 HD12 ' O ' ' B' ' 26' ' ' VAL . 5.9 mt -91.52 -2.06 57.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.962 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 13.25 65.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.635 ' CG ' HD23 ' B' ' 50' ' ' LEU . 17.2 m-85 -94.18 35.93 1.16 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.909 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.486 ' H ' ' ND2' ' B' ' 33' ' ' ASN . 0.6 OUTLIER -50.13 161.89 0.24 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.863 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 t70 71.02 60.45 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.402 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -92.81 148.8 4.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.134 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -128.07 127.61 43.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 13.0 p -102.39 136.98 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.116 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 37.3 p -133.21 126.82 32.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.158 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 53.1 p-90 -104.88 121.37 43.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -142.22 121.57 13.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.45 44.9 62.49 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 61.03 19.1 9.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.935 0.398 . . . . 0.0 110.887 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.12 132.01 51.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.13 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.657 HG23 HG12 ' B' ' 8' ' ' ILE . 11.4 m -101.51 132.69 46.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.108 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 13.6 m -130.0 125.57 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.167 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.3 p -90.51 137.6 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.119 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -126.62 127.79 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.92 162.43 23.5 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.467 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 5.2 pp0? -131.37 139.41 49.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.858 0.361 . . . . 0.0 110.899 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.635 HD23 ' CG ' ' B' ' 32' ' ' TYR . 0.4 OUTLIER -119.83 117.89 29.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -92.1 47.28 1.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.38 -39.01 82.13 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.52 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -68.44 -88.66 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -152.77 -67.1 0.16 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 110.839 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mp 50.04 65.42 1.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -85.68 147.46 26.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.33 107.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.9 t-80 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.978 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.41 138.47 34.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.671 HG11 ' CE2' ' B' ' 19' ' ' PHE . 39.2 t -132.06 122.46 48.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.13 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.9 ttp180 -130.15 128.15 41.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.611 HD12 HD11 ' A' ' 23' ' ' LEU . 22.9 mt -122.37 125.53 72.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.14 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.63 125.14 52.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.722 HG22 HG23 ' B' ' 6' ' ' ILE . 8.7 pt -111.11 135.46 50.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.112 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -116.09 96.87 5.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.107 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.23 164.79 11.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.079 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.4 ttt180 -69.63 -49.19 56.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.479 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.3 t -115.94 153.42 31.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -57.08 -38.6 73.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.7 mmpt? -59.11 -37.35 76.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.479 ' H ' HG23 ' A' ' 12' ' ' THR . 31.5 mm-40 -66.48 -50.66 62.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.518 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -60.14 -40.62 90.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.117 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -59.96 -39.93 87.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -61.59 -45.15 95.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.626 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 17.9 m-85 -64.93 -43.01 94.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.62 -42.41 74.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.664 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -54.51 -45.91 73.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.753 HD13 ' CG1' ' B' ' 26' ' ' VAL . 14.0 mt -66.28 -49.27 77.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.738 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -51.82 -42.37 62.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.923 179.875 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.664 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.2 mt -58.1 -45.21 88.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.097 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.2 mmpt? -63.58 -39.3 94.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.743 ' CG1' HD13 ' B' ' 22' ' ' ILE . 6.7 t -68.35 -40.56 82.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.738 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.4 m-85 -66.69 -42.4 86.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.49 -45.89 88.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -18.79 63.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.874 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 31.5 mt -88.85 -11.22 45.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 97.69 10.57 52.8 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.776 -0.725 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.506 ' OH ' HD12 ' A' ' 50' ' ' LEU . 21.8 m-85 -94.34 36.24 1.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.845 0.355 . . . . 0.0 110.945 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.456 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -49.15 161.21 0.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.4 t70 69.24 60.8 0.31 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.461 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -90.03 149.12 4.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -127.41 121.62 31.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -101.4 136.82 31.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.132 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.3 p -131.6 118.14 19.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.142 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 69.5 p-90 -107.85 142.16 38.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -141.98 103.57 4.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.872 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.03 -81.64 1.74 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -151.11 20.44 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.89 0.376 . . . . 0.0 110.841 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.08 130.53 51.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.139 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.627 HG13 HG12 ' A' ' 8' ' ' ILE . 3.1 p -109.91 132.54 57.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.166 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 8.7 m -129.31 127.09 40.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.0 p -91.64 139.21 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -124.59 116.84 23.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.02 154.53 20.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -125.43 161.86 26.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.866 0.365 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.506 HD12 ' OH ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -124.88 139.31 53.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.932 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.404 ' H ' HD23 ' A' ' 50' ' ' LEU . 7.5 pt-20 -118.5 -33.26 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.851 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.91 40.49 1.42 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -138.44 -142.22 4.28 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.463 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -174.51 -37.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.932 0.396 . . . . 0.0 110.866 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 56.03 26.34 9.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 44.01 -163.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -179.75 137.48 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.869 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 47.9 p-80 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.86 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.804 0.335 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.66 135.32 52.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.626 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 61.4 t -131.98 125.6 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -130.2 125.99 36.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.722 HG23 HG22 ' A' ' 8' ' ' ILE . 59.6 mt -125.17 125.96 70.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -114.4 135.3 54.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.588 HG23 HG12 ' A' ' 6' ' ' ILE . 26.6 mt -110.55 135.34 49.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.133 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.1 m -101.47 71.52 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.16 158.37 16.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.107 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.34 -68.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.546 HG23 ' H ' ' B' ' 15' ' ' GLU . 4.4 t -84.82 154.85 22.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.12 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.68 -37.63 84.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.956 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -36.8 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.916 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.546 ' H ' HG23 ' B' ' 12' ' ' THR . 17.5 mm-40 -62.93 -52.23 63.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.721 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -66.77 -40.47 88.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.085 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.98 -40.11 79.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 31.7 mmtt -60.4 -40.61 91.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.671 ' CE2' HG11 ' A' ' 4' ' ' VAL . 58.7 m-85 -73.68 -41.66 62.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.85 -44.43 77.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.709 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.31 -47.97 62.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.743 HD13 ' CG1' ' A' ' 26' ' ' VAL . 5.7 mt -68.23 -47.12 79.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.698 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.4 mm? -51.87 -38.61 56.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.709 HD12 ' HA ' ' B' ' 21' ' ' ALA . 9.0 mt -61.23 -43.69 96.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.4 mmpt? -65.28 -42.13 93.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.753 ' CG1' HD13 ' A' ' 22' ' ' ILE . 14.3 t -64.83 -40.22 88.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.134 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.698 ' CE2' HD12 ' B' ' 23' ' ' LEU . 12.7 m-85 -68.27 -42.48 79.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.89 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -45.71 91.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.059 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.05 -18.49 64.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 42.9 mt -91.75 -1.75 57.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.79 10.1 70.33 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.505 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.635 ' CD1' HD23 ' B' ' 50' ' ' LEU . 18.7 m-85 -93.89 36.77 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.904 -179.812 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -49.66 160.44 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 6.2 t70 67.55 69.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.813 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.462 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -96.22 148.66 5.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.082 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -124.48 118.99 27.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.4 p -104.75 137.04 35.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 23.5 p -132.9 113.78 13.27 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -98.01 129.81 44.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -131.73 99.89 4.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.02 -86.08 1.5 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.506 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -148.45 17.62 1.04 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.88 0.372 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.48 121.88 33.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.128 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.721 HG21 ' HB1' ' B' ' 16' ' ' ALA . 33.0 m -95.56 134.25 33.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.9 m -128.44 119.63 25.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.172 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 8.5 p -95.48 136.6 25.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.125 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -120.9 125.75 48.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.7 150.38 18.66 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.468 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -121.42 149.57 42.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.635 HD23 ' CD1' ' B' ' 32' ' ' TYR . 0.4 OUTLIER -127.04 126.33 42.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -111.62 -37.43 5.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.56 115.27 0.8 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 162.24 133.67 1.51 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.493 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 3.2 m -160.75 124.61 3.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.857 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -66.01 -54.42 26.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.21 -76.54 0.58 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 50.79 70.86 0.48 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.796 0.331 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 5.0 tmm_? -113.03 147.01 38.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.595 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 48.7 t -130.93 124.55 56.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.158 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -130.09 128.58 42.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.676 HG23 HG22 ' B' ' 8' ' ' ILE . 68.0 mt -124.93 125.1 69.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.177 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -113.25 128.0 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.63 HG12 HG13 ' A' ' 44' ' ' VAL . 9.2 pt -111.13 135.39 50.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.116 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.46 94.81 5.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -104.16 169.04 8.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -79.62 -35.76 38.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.6 t -127.97 158.02 39.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.11 -34.04 77.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.96 -42.01 84.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.914 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.07 -48.44 68.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.862 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.547 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -59.59 -41.51 90.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.87 -39.92 82.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.894 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.3 mmtt -64.15 -35.21 80.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.785 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 42.0 m-85 -72.12 -45.43 60.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.74 -44.61 77.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.624 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.19 -46.83 62.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.087 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.757 HD13 ' CG1' ' B' ' 26' ' ' VAL . 14.6 mt -67.71 -49.24 71.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.549 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.3 mm? -52.9 -40.42 63.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.4 mt -59.52 -42.88 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.122 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.5 mmpt? -65.88 -42.14 90.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.744 ' CG1' HD13 ' B' ' 22' ' ' ILE . 17.5 t -64.74 -40.57 89.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.156 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.549 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.8 m-85 -68.55 -42.4 78.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.94 -45.61 88.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.89 -18.62 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.423 ' CD1' HG12 ' A' ' 26' ' ' VAL . 23.4 mt -90.92 -3.03 57.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.943 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.83 13.35 64.84 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.496 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 15.2 m-85 -94.64 35.82 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.873 0.368 . . . . 0.0 110.913 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.483 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.6 OUTLIER -49.73 161.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.859 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 t0 71.04 58.99 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.473 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -90.85 148.96 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.108 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -126.0 124.16 40.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.5 p -102.81 137.0 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -133.75 124.33 26.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.121 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 58.0 p-90 -103.91 121.14 42.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -142.13 122.83 14.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.827 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.08 46.54 71.66 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.455 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 59.66 20.96 9.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.891 0.377 . . . . 0.0 110.877 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.16 127.42 45.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.127 -179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.63 HG13 HG12 ' A' ' 8' ' ' ILE . 3.5 p -101.8 132.72 47.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.126 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.0 m -131.21 130.28 42.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.14 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.5 p -94.77 138.72 20.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.144 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -125.88 119.48 27.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.03 166.47 21.46 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.448 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pm0 -145.68 141.21 27.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.591 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -105.59 140.09 39.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.423 ' H ' HD23 ' A' ' 50' ' ' LEU . 17.4 pt-20 -117.41 -30.64 5.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 163.48 -67.02 0.23 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.504 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 164.73 158.77 10.58 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -169.1 169.89 9.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 110.878 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 55' ' ' LEU . 4.3 mm? -103.58 51.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -45.33 -75.39 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -96.54 103.88 15.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.81 180.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.799 0.333 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -102.57 147.06 27.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.846 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.785 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 45.7 t -128.59 126.59 65.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ttt180 -130.38 126.32 36.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.612 HG23 HG22 ' A' ' 8' ' ' ILE . 68.4 mt -121.62 125.53 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -108.71 123.66 49.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.676 HG22 HG23 ' A' ' 6' ' ' ILE . 10.0 pt -110.84 135.44 49.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.97 106.36 16.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.17 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.616 ' HB1' ' HB3' ' B' ' 15' ' ' GLU . . . -109.97 168.94 9.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.1 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.507 ' HG3' HG22 ' B' ' 12' ' ' THR . 8.7 ptm180 -81.82 -40.2 22.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.52 HG23 ' H ' ' B' ' 15' ' ' GLU . 1.6 t -124.56 157.97 34.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.171 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -55.95 -36.48 67.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -36.56 84.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.882 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.616 ' HB3' ' HB1' ' B' ' 10' ' ' ALA . 29.6 mm-40 -63.43 -35.22 79.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.992 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -68.35 -38.25 81.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.119 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -70.07 -36.68 75.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.92 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 19.0 mmtt -59.55 -31.89 69.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.595 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 20.0 m-85 -90.41 -41.14 11.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.87 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.26 76.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.651 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -54.19 -41.99 69.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.744 HD13 ' CG1' ' A' ' 26' ' ' VAL . 22.5 mt -69.59 -49.13 61.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.148 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.569 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -53.77 -39.27 65.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.651 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.1 mt -61.29 -42.69 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -66.0 -42.03 90.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.757 ' CG1' HD13 ' A' ' 22' ' ' ILE . 16.5 t -64.34 -41.08 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.09 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.569 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.0 m-85 -67.36 -41.07 85.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.98 -45.5 93.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.22 -18.78 63.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 29.3 mt -91.3 -1.54 57.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.67 11.72 67.91 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.612 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 15.9 m-85 -94.61 34.4 1.33 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.897 0.379 . . . . 0.0 110.921 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.486 ' H ' ' ND2' ' B' ' 33' ' ' ASN . 0.6 OUTLIER -50.24 161.82 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 71.06 57.91 0.2 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.449 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -88.9 145.43 7.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.134 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -125.11 124.83 42.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.85 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.7 p -99.63 136.08 32.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 15.8 p -130.51 114.9 16.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . 0.45 ' HB3' HG12 ' B' ' 44' ' ' VAL . 59.7 p-90 -110.57 142.48 42.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -141.93 100.16 3.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.819 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.83 -86.7 1.4 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.493 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.18 21.83 1.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.4 m -126.09 131.99 52.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.194 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.992 HG21 ' HB1' ' B' ' 16' ' ' ALA . 3.8 m -113.38 128.74 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 7.0 m -129.01 126.95 40.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.3 139.11 18.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -124.21 121.88 36.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.75 166.86 21.77 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.484 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -146.96 141.18 26.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 0.0 110.956 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.612 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER -108.09 139.44 42.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.415 ' H ' HD23 ' B' ' 50' ' ' LEU . 0.0 OUTLIER -114.2 -32.03 6.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.918 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -165.33 83.54 0.1 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.46 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -153.31 -148.17 4.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.484 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 6.7 m 63.14 101.93 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -79.52 86.75 5.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.929 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -53.55 147.77 10.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.45 107.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 17.3 t-80 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.833 -179.957 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.527 0.077 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 9.2 tmm_? -110.93 139.57 46.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.803 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 60.0 t -132.06 125.31 54.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.106 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 -130.11 124.22 32.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.824 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.661 HG23 HG22 ' B' ' 8' ' ' ILE . 70.5 mt -121.81 125.39 73.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.145 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.91 126.11 54.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.84 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.691 HG22 HG23 ' B' ' 6' ' ' ILE . 10.4 pt -110.85 135.39 50.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.719 HG23 HG23 ' A' ' 43' ' ' THR . 0.0 OUTLIER -117.41 93.23 4.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.167 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.88 169.04 9.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.3 ttt85 -70.57 -53.81 14.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.412 HG23 ' H ' ' A' ' 15' ' ' GLU . 1.9 t -108.98 158.62 17.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.177 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 26.7 pttt -63.92 -40.45 96.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.858 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.82 -33.56 68.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.897 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' H ' HG23 ' A' ' 12' ' ' THR . 12.3 mm-40 -67.11 -52.06 46.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.408 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -60.1 -40.33 89.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.89 -39.93 79.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -62.7 -32.47 73.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.768 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 28.4 m-85 -76.07 -43.9 41.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.91 -43.22 77.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.082 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.45 -45.35 62.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.108 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.761 HD13 ' CG1' ' B' ' 26' ' ' VAL . 22.2 mt -69.75 -49.19 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.557 HD12 ' CE2' ' A' ' 27' ' ' PHE . 1.3 mm? -52.61 -41.15 63.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.568 HD12 ' HA ' ' A' ' 21' ' ' ALA . 12.1 mt -58.92 -42.9 87.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.159 179.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -66.04 -42.24 89.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.752 ' CG1' HD13 ' B' ' 22' ' ' ILE . 19.4 t -64.41 -40.63 89.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.557 ' CE2' HD12 ' A' ' 23' ' ' LEU . 8.7 m-85 -67.38 -42.39 83.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.3 -45.54 87.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.93 -18.64 64.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.482 ' CD1' HG12 ' A' ' 26' ' ' VAL . 21.9 mt -90.89 -3.21 57.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.85 13.26 64.96 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.482 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.567 ' CE1' HD13 ' A' ' 50' ' ' LEU . 13.4 m-85 -94.35 35.58 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.881 0.372 . . . . 0.0 110.933 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.482 ' H ' ' ND2' ' A' ' 33' ' ' ASN . 0.5 OUTLIER -49.42 161.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.846 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 t0 70.67 58.92 0.22 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.472 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -89.56 149.03 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.115 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -128.35 121.83 30.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 9.8 p -103.07 136.31 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 p -130.92 114.03 14.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.162 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.644 ' HB3' HG12 ' A' ' 44' ' ' VAL . 61.0 p-90 -104.27 142.48 34.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -141.87 99.98 3.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.823 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.47 -82.49 1.43 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.495 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -149.8 19.59 0.9 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.888 0.375 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.719 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -126.12 132.08 51.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.671 HG23 HG12 ' A' ' 8' ' ' ILE . 4.5 m -111.5 134.14 54.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.155 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.4 m -129.48 123.8 32.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.118 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.9 p -91.59 137.95 20.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -124.97 117.79 24.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -130.35 150.77 19.27 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.563 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.6 pm0 -125.2 156.24 38.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.874 0.368 . . . . 0.0 110.872 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.567 HD13 ' CE1' ' A' ' 32' ' ' TYR . 22.7 tp -116.11 141.27 48.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -119.77 -32.67 4.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 111.43 118.53 3.77 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.456 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 111.95 -157.52 14.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.523 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 11.7 m -151.02 132.5 14.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.898 0.38 . . . . 0.0 110.867 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 55' ' ' LEU . 4.0 mm? -98.12 76.1 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.879 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -46.24 -78.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.859 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 67.81 -77.33 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 -179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.875 0.369 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -111.35 147.14 35.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.768 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 48.0 t -125.14 125.32 69.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.109 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 40.6 ttp180 -130.28 118.88 21.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.691 HG23 HG22 ' A' ' 8' ' ' ILE . 61.1 mt -117.6 125.37 74.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.59 118.23 36.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.661 HG22 HG23 ' A' ' 6' ' ' ILE . 14.7 pt -110.32 135.26 49.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.3 124.98 53.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.604 ' HB1' ' HB3' ' B' ' 15' ' ' GLU . . . -133.04 169.25 17.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.09 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 4.1 mtp180 -72.95 -68.89 0.45 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.8 t -105.3 168.4 9.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -58.83 -39.64 81.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.44 -38.82 81.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.604 ' HB3' ' HB1' ' B' ' 10' ' ' ALA . 11.0 mm-40 -65.88 -52.2 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.956 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -62.66 -42.42 99.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.086 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -57.94 -39.62 78.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.868 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -59.67 -38.99 82.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.896 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.803 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 23.9 m-85 -73.66 -45.89 49.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.57 -42.05 74.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -54.59 -43.87 72.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.024 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.752 HD13 ' CG1' ' A' ' 26' ' ' VAL . 20.8 mt -68.42 -48.85 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.145 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.719 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -53.2 -39.0 63.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 179.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.3 mt -61.23 -42.67 94.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 3.3 mmpt? -66.01 -42.17 90.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.894 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.761 ' CG1' HD13 ' A' ' 22' ' ' ILE . 17.0 t -64.44 -40.37 88.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.134 179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.719 ' CE2' HD12 ' B' ' 23' ' ' LEU . 9.7 m-85 -67.69 -41.69 83.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.06 -45.15 94.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.099 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.58 -18.62 64.37 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.3 mt -92.56 -1.77 56.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 12.27 66.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.484 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.633 ' CG ' HD23 ' B' ' 50' ' ' LEU . 18.7 m-85 -94.1 35.84 1.15 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.895 0.379 . . . . 0.0 110.914 -179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -50.17 160.51 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.932 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 9.3 t70 67.7 68.92 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -95.47 148.29 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -123.74 122.67 38.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -104.26 136.15 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 62.0 p -134.15 120.61 20.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 54.6 p-90 -104.44 125.21 50.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -142.05 100.03 3.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.01 44.23 4.51 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.5 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 58.7 24.14 11.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.849 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -117.13 131.98 56.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.956 HG21 ' HB1' ' B' ' 16' ' ' ALA . 63.7 t -93.6 131.26 41.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.133 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 93.9 m -141.51 126.29 18.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.9 p -105.57 137.68 34.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -125.13 128.51 48.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.886 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.92 170.96 19.93 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.59 145.96 37.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.338 . . . . 0.0 110.975 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.633 HD23 ' CG ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER -134.26 127.66 32.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.53 -34.04 3.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -144.66 144.29 13.1 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.509 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.06 -91.24 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 65.89 117.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.912 0.387 . . . . 0.0 110.836 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 9.2 mt -98.65 -45.32 6.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.907 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -173.98 -169.99 0.52 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -179.25 131.97 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.86 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 51.0 t60 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.7 tp10 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.2 tmm_? -100.96 147.06 26.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.866 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.789 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 41.4 t -126.74 124.86 65.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 60.4 ttp85 -130.26 130.53 44.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.899 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.585 HG23 HG22 ' B' ' 8' ' ' ILE . 68.7 mt -125.17 125.5 69.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.51 125.31 53.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.702 HG22 HG23 ' B' ' 6' ' ' ILE . 9.9 pt -110.84 135.38 50.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.17 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -110.88 102.39 10.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.107 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.425 ' HB1' ' HB3' ' A' ' 15' ' ' GLU . . . -112.24 168.96 9.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.061 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -69.55 -54.46 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.596 HG23 ' H ' ' A' ' 15' ' ' GLU . 10.0 t -118.33 165.19 14.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.123 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.88 -43.32 94.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -34.59 70.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.596 ' H ' HG23 ' A' ' 12' ' ' THR . 20.4 mm-40 -66.51 -52.16 48.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.933 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.658 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -64.11 -39.14 93.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.114 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.05 -39.87 79.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.1 mmtt -59.81 -32.46 70.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -80.83 -39.2 26.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.31 76.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.653 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -53.05 -45.34 68.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.113 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.758 HD13 ' CG1' ' B' ' 26' ' ' VAL . 17.7 mt -67.71 -49.27 71.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.558 HD12 ' CE2' ' A' ' 27' ' ' PHE . 0.6 OUTLIER -52.67 -40.08 62.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 179.899 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.653 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.6 mt -60.09 -43.73 93.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -64.89 -42.16 95.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.753 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.4 t -65.09 -40.29 88.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.558 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.0 m-85 -68.87 -42.51 76.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.21 -45.59 92.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.063 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -18.52 63.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 44.7 mt -91.75 2.52 56.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.926 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.85 6.83 75.52 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.548 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.631 ' CE1' HD13 ' A' ' 50' ' ' LEU . 19.2 m-85 -94.8 31.22 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.448 HD22 ' N ' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -48.73 161.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.895 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 t0 68.3 64.11 0.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.524 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -92.07 149.13 4.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.116 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -122.42 124.82 44.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.26 135.29 36.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.102 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 15.1 p -130.77 114.11 14.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.637 ' HB3' HG12 ' A' ' 44' ' ' VAL . 65.7 p-90 -108.85 141.3 41.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -141.92 100.25 3.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 91.87 -82.55 1.2 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.454 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.17 19.91 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.1 132.12 51.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.658 HG21 ' HB1' ' A' ' 16' ' ' ALA . 4.6 m -111.44 132.03 61.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 6.9 m -129.99 126.77 38.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.126 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.2 p -91.22 138.5 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.065 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -126.65 122.34 34.72 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.86 168.21 20.7 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.456 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.34 156.55 48.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.94 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.631 HD13 ' CE1' ' A' ' 32' ' ' TYR . 15.2 tp -121.56 144.89 48.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -115.87 -31.99 5.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 78.49 162.91 22.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 101.53 -20.9 44.73 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.439 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 6.5 m -140.34 156.42 46.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.912 0.387 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.54 -32.2 9.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.931 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -140.53 -176.48 4.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -179.24 114.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.888 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.828 0.347 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -98.73 147.13 25.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.839 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 88.5 t -130.96 130.42 64.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 ttm-85 -130.26 122.74 28.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.702 HG23 HG22 ' A' ' 8' ' ' ILE . 68.1 mt -125.37 125.13 68.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 2.7 t -114.92 130.7 56.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.672 HG12 HG23 ' B' ' 44' ' ' VAL . 8.6 pt -112.12 135.36 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.04 95.07 5.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.099 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.18 169.01 8.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.063 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 ttt180 -76.6 -57.74 3.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.462 HG23 ' H ' ' B' ' 15' ' ' GLU . 2.5 t -108.52 159.21 16.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.31 -37.72 86.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.909 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.91 -38.04 75.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.462 ' H ' HG23 ' B' ' 12' ' ' THR . 3.4 mm-40 -67.06 -52.11 46.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.906 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.687 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -59.99 -39.71 86.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.061 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -57.86 -39.94 78.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -62.74 -34.98 78.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.899 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.789 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 38.6 m-85 -73.07 -44.61 60.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.7 -43.71 76.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.661 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.74 -46.13 63.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.753 HD13 ' CG1' ' A' ' 26' ' ' VAL . 12.6 mt -67.99 -49.09 71.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.631 HD12 ' CE2' ' B' ' 27' ' ' PHE . 0.8 OUTLIER -52.47 -39.65 61.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.959 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.661 HD12 ' HA ' ' B' ' 21' ' ' ALA . 10.8 mt -60.39 -43.14 93.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.162 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 mmpt? -65.51 -42.16 92.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.89 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.758 ' CG1' HD13 ' A' ' 22' ' ' ILE . 16.5 t -64.76 -40.53 89.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.126 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.631 ' CE2' HD12 ' B' ' 23' ' ' LEU . 6.4 m-85 -68.4 -42.39 79.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.852 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.77 -45.63 91.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -18.66 64.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.899 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 34.1 mt -90.99 -1.53 57.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.925 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.76 12.22 66.88 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.448 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.647 ' CE1' HD13 ' B' ' 50' ' ' LEU . 13.9 m-85 -94.22 35.84 1.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.876 0.37 . . . . 0.0 110.907 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -49.39 161.0 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t70 69.3 62.94 0.29 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.432 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.7 OUTLIER -91.4 149.07 4.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.12 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -129.21 122.94 30.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.8 p -99.33 135.92 32.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 8.1 p -131.82 132.94 44.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 46.6 p-90 -110.26 123.86 50.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 68.6 m-20 -123.8 100.24 6.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.839 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.04 -82.71 1.61 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.686 -0.768 . . . . 0.0 112.512 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -153.39 21.09 0.55 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.856 0.36 . . . . 0.0 110.839 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 6.7 m -126.17 121.91 34.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.143 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.687 HG21 ' HB1' ' B' ' 16' ' ' ALA . 15.5 m -91.26 125.74 43.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 4.6 m -122.13 150.94 41.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 7.6 p -116.0 136.55 52.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -120.2 116.74 26.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . 0.426 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.95 140.82 12.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.475 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.9 pp0? -120.3 156.28 31.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.647 HD13 ' CE1' ' B' ' 32' ' ' TYR . 1.1 tp -122.36 119.69 31.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.49 -26.69 17.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -130.11 131.49 6.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.495 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 136.74 68.86 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . 0.612 ' C ' HD13 ' B' ' 55' ' ' LEU . 0.1 OUTLIER -156.73 156.66 33.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.898 0.38 . . . . 0.0 110.893 -179.745 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.612 HD13 ' C ' ' B' ' 54' ' ' SER . 0.0 OUTLIER -155.64 32.02 0.36 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.95 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 64.43 154.49 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -176.67 -47.41 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.854 0.359 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -106.4 146.11 30.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.69 HG11 ' CE2' ' B' ' 19' ' ' PHE . 46.3 t -132.24 123.18 49.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.124 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.599 ' NE ' HG21 ' A' ' 45' ' ' THR . 0.1 OUTLIER -130.3 119.85 23.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.602 HD12 HD11 ' A' ' 23' ' ' LEU . 28.4 mt -114.59 125.82 71.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -111.89 127.87 55.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.653 HG22 HG23 ' B' ' 6' ' ' ILE . 7.8 pt -115.04 135.17 55.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.448 HG23 HG23 ' A' ' 43' ' ' THR . 0.2 OUTLIER -115.18 95.22 5.08 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.42 169.12 8.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.107 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 45.5 ttt180 -76.18 -50.75 13.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.859 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 15' ' ' GLU . 1.8 t -109.39 158.54 17.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.167 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -63.77 -34.3 77.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.92 -41.53 82.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.425 ' H ' HG23 ' A' ' 12' ' ' THR . 0.2 OUTLIER -62.93 -34.65 77.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.76 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -68.37 -38.07 81.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.123 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -68.38 -37.0 80.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -62.36 -40.66 97.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.757 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 42.4 m-85 -73.84 -45.39 51.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.904 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.36 77.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.499 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.52 -47.88 63.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.075 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.751 HD13 ' CG1' ' B' ' 26' ' ' VAL . 12.7 mt -67.85 -49.3 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.102 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.602 HD11 HD12 ' A' ' 6' ' ' ILE . 1.2 mm? -53.21 -41.49 65.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 21' ' ' ALA . 13.8 mt -58.78 -44.27 89.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mmpt? -64.32 -42.05 96.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.743 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.8 t -65.31 -40.38 88.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.11 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.579 ' CE2' HD12 ' A' ' 23' ' ' LEU . 7.5 m-85 -67.7 -42.61 81.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.07 -45.75 90.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.106 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -18.67 64.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 26' ' ' VAL . 23.0 mt -90.81 -2.8 57.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 88.2 12.39 65.59 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.597 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 15.3 m-85 -94.83 35.37 1.26 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 0.0 110.95 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -50.11 161.58 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.884 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.3 t70 70.86 58.26 0.21 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.473 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -88.51 148.93 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.188 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -126.59 123.29 37.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.6 p -101.24 135.82 35.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 49.1 p -131.25 127.7 38.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.128 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 51.9 p-90 -104.91 121.5 43.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -142.19 123.39 14.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 65.86 46.26 83.33 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.3 t0 59.78 20.88 9.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.881 0.372 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.448 HG23 HG23 ' A' ' 9' ' ' THR . 0.2 OUTLIER -126.14 131.91 51.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.136 -179.902 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.76 HG21 ' HB1' ' A' ' 16' ' ' ALA . 12.2 m -101.63 133.41 45.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.599 HG21 ' NE ' ' A' ' 5' ' ' ARG . 24.6 m -131.12 123.06 27.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.173 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -88.95 138.15 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.121 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 72.6 mt-10 -125.67 118.94 26.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -129.03 156.43 21.19 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.488 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.484 ' H ' ' NE2' ' A' ' 49' ' ' GLN . 1.5 pm0 -135.64 142.65 45.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.876 0.37 . . . . 0.0 110.916 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.597 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -106.64 139.56 40.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.422 ' H ' HD23 ' A' ' 50' ' ' LEU . 10.4 pt-20 -117.83 -32.29 4.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 151.58 -116.71 0.78 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.473 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -92.55 -179.96 40.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.464 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.52 140.16 23.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.919 0.39 . . . . 0.0 110.901 -179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -108.66 61.4 0.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 14.3 tt0 -58.4 147.46 31.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.854 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -179.33 170.83 1.34 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.896 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 26.1 t60 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.909 179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.864 0.364 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.51 147.08 30.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.757 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 39.7 t -130.8 129.66 63.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -130.66 126.17 35.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.653 HG23 HG22 ' A' ' 8' ' ' ILE . 55.7 mt -124.41 125.54 70.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 9.7 t -113.71 135.92 53.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.583 HG23 HG12 ' A' ' 6' ' ' ILE . 22.7 mt -110.9 135.0 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.162 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.22 74.55 1.96 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.164 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -101.03 144.53 29.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.103 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -79.47 -32.43 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.65 144.76 44.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.169 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 15.5 ptmt -59.53 -30.91 68.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.941 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -41.66 89.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.921 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.32 -42.56 83.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.488 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -68.05 -37.54 81.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -69.48 -37.08 77.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -68.13 -36.02 79.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.69 ' CE2' HG11 ' A' ' 4' ' ' VAL . 16.4 m-85 -77.52 -41.6 38.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.877 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.66 -42.97 75.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -54.39 -44.79 72.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.743 HD13 ' CG1' ' A' ' 26' ' ' VAL . 11.6 mt -67.26 -49.09 75.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.578 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.0 OUTLIER -53.19 -39.52 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.658 HD12 ' HA ' ' B' ' 21' ' ' ALA . 12.2 mt -60.96 -43.96 97.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.165 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -64.58 -42.24 95.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.751 ' CG1' HD13 ' A' ' 22' ' ' ILE . 13.8 t -65.12 -40.08 87.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.152 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.578 ' CE2' HD12 ' B' ' 23' ' ' LEU . 5.6 m-85 -70.47 -40.8 73.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.844 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -45.41 94.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -18.43 64.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 33.1 mt -92.54 -2.5 56.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.7 13.82 64.31 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.494 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.693 ' CE1' HD13 ' B' ' 50' ' ' LEU . 11.9 m-85 -93.63 34.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -50.16 161.76 0.26 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 t0 70.87 60.2 0.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.83 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.436 HD11 ' HA3' ' B' ' 48' ' ' GLY . 0.6 OUTLIER -91.72 144.75 8.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.102 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -121.18 123.62 42.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 8.9 p -97.06 136.57 27.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 77.7 p -139.15 114.01 9.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.166 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -95.49 125.18 39.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.922 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -142.12 115.45 8.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.17 48.86 36.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 59.96 20.24 9.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.866 0.365 . . . . 0.0 110.817 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . 0.478 HG23 ' O ' ' B' ' 8' ' ' ILE . 4.7 m -126.14 121.5 33.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.488 HG11 ' HB1' ' B' ' 16' ' ' ALA . 11.9 p -89.22 126.82 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.086 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 4.3 m -121.0 119.87 33.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.171 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . 0.416 HG12 ' HB ' ' B' ' 6' ' ' ILE . 9.5 p -95.76 137.56 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 64.7 mt-10 -120.67 115.16 22.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . 0.436 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -129.0 140.95 12.09 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.472 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.585 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.5 pm0 -120.48 146.6 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.797 0.332 . . . . 0.0 110.91 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.693 HD13 ' CE1' ' B' ' 32' ' ' TYR . 20.0 tp -96.51 151.0 19.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -106.48 32.22 4.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.844 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -111.44 29.6 8.55 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -129.25 -57.02 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.52 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -143.27 136.31 27.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.903 0.382 . . . . 0.0 110.853 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -94.03 75.76 4.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.939 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -72.19 -169.97 0.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.93 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.35 158.54 0.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 25.8 t60 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -92.75 143.17 26.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 58.1 t -123.15 128.06 74.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.145 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -130.13 127.71 40.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.695 HG23 HG22 ' B' ' 8' ' ' ILE . 58.8 mt -125.46 129.74 72.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.18 135.72 53.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.85 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.584 HG23 HG12 ' B' ' 6' ' ' ILE . 26.6 mt -110.48 135.56 49.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.144 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.2 m -102.23 73.5 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.83 167.5 10.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.069 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.55 -67.89 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.435 HG23 ' H ' ' A' ' 15' ' ' GLU . 8.7 t -97.82 164.36 12.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -66.14 -29.19 69.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.949 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -43.51 92.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.435 ' H ' HG23 ' A' ' 12' ' ' THR . 0.2 OUTLIER -65.32 -52.15 55.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.758 ' HB1' HG11 ' A' ' 44' ' ' VAL . . . -60.19 -38.82 84.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.056 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.0 -40.53 95.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -59.93 -33.75 72.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -81.42 -39.45 24.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.907 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.34 -45.25 80.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.058 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.71 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -51.46 -48.31 62.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.079 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.755 HD13 ' CG1' ' B' ' 26' ' ' VAL . 7.3 mt -66.7 -47.97 81.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.132 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.539 HD11 HD12 ' A' ' 6' ' ' ILE . 1.0 OUTLIER -51.88 -40.44 60.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 179.913 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.71 HD12 ' HA ' ' A' ' 21' ' ' ALA . 9.6 mt -59.48 -44.69 93.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.169 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -64.45 -42.13 96.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.754 ' CG1' HD13 ' B' ' 22' ' ' ILE . 14.3 t -65.32 -39.9 86.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.536 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.1 m-85 -70.22 -42.64 72.02 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.56 -44.73 96.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.091 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.42 -18.22 64.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 26' ' ' VAL . 4.6 mt -94.03 3.05 55.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.918 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.81 7.1 75.24 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.525 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.618 ' CZ ' HD12 ' A' ' 50' ' ' LEU . 22.2 m-85 -94.58 27.51 2.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.882 0.372 . . . . 0.0 110.924 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -47.05 160.97 0.08 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.87 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.9 t0 68.71 61.36 0.35 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.517 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -90.36 149.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.144 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -120.14 122.65 41.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 10.9 p -101.46 137.11 30.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 66.9 p -135.64 113.69 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 65.6 p-90 -97.02 134.92 39.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -136.11 99.81 4.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.75 -84.42 1.57 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.512 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.75 18.33 0.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -126.73 121.91 33.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 -179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.758 HG11 ' HB1' ' A' ' 16' ' ' ALA . 8.1 p -92.71 136.53 24.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 32.0 m -129.7 136.35 49.58 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.185 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -112.08 134.82 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 67.8 mt-10 -122.59 123.14 40.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.68 165.11 21.64 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.455 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -137.69 147.28 44.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.618 HD12 ' CZ ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -117.14 138.09 51.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -119.78 -34.01 3.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 148.27 154.01 6.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 66.75 -131.24 31.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 28.2 m -163.1 -40.32 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.895 0.378 . . . . 0.0 110.885 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 55.36 26.25 8.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.88 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -58.72 -38.72 78.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.3 t60 50.2 -168.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.914 -179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.844 0.354 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -92.62 129.44 38.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 -179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 48.0 t -107.93 122.45 62.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.12 121.07 25.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.616 HD12 HD11 ' B' ' 23' ' ' LEU . 33.2 mt -117.29 125.65 74.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.136 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -109.9 125.37 52.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.838 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.695 HG22 HG23 ' A' ' 6' ' ' ILE . 8.1 pt -112.77 135.4 52.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.126 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.67 96.47 5.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.178 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -102.03 169.09 8.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.102 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.562 ' HG3' HG22 ' B' ' 12' ' ' THR . 37.0 ptt180 -70.96 -41.86 70.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 -179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.562 HG22 ' HG3' ' B' ' 11' ' ' ARG . 3.4 t -130.69 160.22 34.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 pttt -60.31 -39.68 87.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.894 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 5.0 mmpt? -57.91 -38.2 75.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . 0.541 ' H ' HG23 ' B' ' 12' ' ' THR . 1.5 mm-40 -66.99 -52.14 46.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.683 ' HB1' HG11 ' B' ' 44' ' ' VAL . . . -59.58 -40.1 86.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.109 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.88 -39.85 78.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -62.4 -32.25 73.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -77.96 -40.07 40.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.73 -44.34 77.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.08 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.666 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.62 -45.96 63.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.106 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.754 HD13 ' CG1' ' A' ' 26' ' ' VAL . 14.4 mt -67.56 -49.21 72.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.111 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.616 HD11 HD12 ' B' ' 6' ' ' ILE . 0.6 OUTLIER -53.37 -39.38 64.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.932 179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.666 HD12 ' HA ' ' B' ' 21' ' ' ALA . 11.1 mt -60.97 -42.75 94.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.111 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -66.05 -42.22 89.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.755 ' CG1' HD13 ' A' ' 22' ' ' ILE . 15.5 t -64.64 -40.94 90.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.135 179.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.589 ' CE2' HD12 ' B' ' 23' ' ' LEU . 4.5 m-85 -68.9 -41.78 77.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.36 -45.02 96.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.076 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -68.99 -18.55 64.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 30.3 mt -92.77 2.26 56.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.66 7.86 74.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.477 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.611 ' CG ' HD23 ' B' ' 50' ' ' LEU . 25.1 m-85 -94.6 30.6 1.98 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.913 0.387 . . . . 0.0 110.874 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . 0.487 ' H ' ' ND2' ' B' ' 33' ' ' ASN . 0.6 OUTLIER -50.76 161.61 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.934 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 1.2 t70 69.99 54.47 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.502 HD13 ' HB3' ' B' ' 27' ' ' PHE . 0.6 OUTLIER -83.72 149.07 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -123.49 126.47 46.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 11.9 p -100.52 135.26 37.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 18.0 p -130.11 117.24 19.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.173 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 64.8 p-90 -104.19 144.05 32.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.912 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -141.96 100.4 3.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.59 -81.82 1.67 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.494 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -150.87 19.81 0.79 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.881 0.372 . . . . 0.0 110.855 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.09 131.86 52.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.683 HG11 ' HB1' ' B' ' 16' ' ' ALA . 2.9 p -106.13 132.62 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.09 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -130.79 125.03 32.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.1 p -89.47 138.1 19.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.77 129.51 45.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.89 170.94 19.92 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -136.64 141.19 43.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.611 HD23 ' CG ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER -126.53 132.21 51.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.458 ' N ' HD13 ' B' ' 50' ' ' LEU . 0.1 OUTLIER -92.16 44.4 1.17 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.914 179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . -83.02 156.1 33.81 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.543 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . 58.42 44.44 95.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.81 -0.709 . . . . 0.0 112.469 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 1.3 m -153.48 -65.22 0.15 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.873 0.368 . . . . 0.0 110.839 -179.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 mp 64.46 -80.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.917 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -141.41 -77.2 0.28 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 50.67 40.28 23.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.831 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.845 0.355 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.33 130.7 43.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.835 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.652 HG11 ' CZ ' ' B' ' 19' ' ' PHE . 50.1 t -129.35 124.77 60.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.088 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -130.4 128.59 41.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.63 HD12 HD11 ' A' ' 23' ' ' LEU . 24.3 mt -125.21 132.14 71.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 6.7 t -115.13 129.75 56.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.694 HG22 HG23 ' B' ' 6' ' ' ILE . 7.5 pt -115.28 135.39 55.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.34 101.07 9.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.169 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.41 ' HB3' ' HB2' ' A' ' 16' ' ' ALA . . . -110.58 169.01 9.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.3 ttt85 -68.81 -57.2 5.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.834 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 15' ' ' GLU . 2.5 t -116.48 159.19 22.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 13.8 pttm -57.49 -37.58 73.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 9.7 mmpt? -58.02 -39.79 79.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.916 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.423 ' H ' HG23 ' A' ' 12' ' ' THR . 0.3 OUTLIER -67.05 -52.04 47.2 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.544 ' HB1' HG21 ' A' ' 44' ' ' VAL . . . -60.41 -39.77 88.59 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.067 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -57.95 -39.84 79.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.856 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.2 mmtt -61.13 -33.92 74.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.571 ' CZ ' HG11 ' B' ' 4' ' ' VAL . 27.5 m-85 -76.56 -42.25 43.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.84 -44.45 77.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.103 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.678 ' HA ' HD12 ' A' ' 24' ' ' ILE . . . -52.19 -46.35 65.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.105 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.751 HD13 ' CG1' ' B' ' 26' ' ' VAL . 14.7 mt -66.61 -49.19 77.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.63 HD11 HD12 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -52.99 -39.39 63.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.935 179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.678 HD12 ' HA ' ' A' ' 21' ' ' ALA . 11.4 mt -60.78 -43.01 94.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.105 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 mmpt? -66.03 -42.06 90.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.957 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.745 ' CG1' HD13 ' B' ' 22' ' ' ILE . 15.0 t -64.87 -40.43 89.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.602 ' CE2' HD12 ' A' ' 23' ' ' LEU . 4.7 m-85 -67.9 -40.97 83.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.23 -45.99 90.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.067 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -18.61 63.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.87 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 38.0 mt -90.92 -0.19 57.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 87.86 7.71 74.07 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.476 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.609 ' CG ' HD23 ' A' ' 50' ' ' LEU . 34.6 m-85 -94.19 35.02 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.915 0.388 . . . . 0.0 110.936 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -50.95 161.36 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.873 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t0 69.8 63.64 0.25 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.49 HD13 ' HB3' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -93.5 145.71 7.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.145 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -123.02 123.98 42.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.2 p -94.88 134.14 33.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.3 p -132.35 132.32 42.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.139 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . . . . . . . . . 45.2 p-90 -107.6 123.36 48.35 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.929 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -142.0 99.93 3.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.69 41.33 6.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.54 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 63.74 20.89 12.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.878 0.37 . . . . 0.0 110.872 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 36.4 m -126.13 121.68 33.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.656 HG23 HG12 ' A' ' 8' ' ' ILE . 15.6 m -88.86 121.68 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 17.2 m -121.27 127.74 51.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.179 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 8.4 p -90.88 135.7 26.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.138 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -117.88 119.5 35.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -128.24 147.05 17.21 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.93 162.07 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.609 HD23 ' CG ' ' A' ' 32' ' ' TYR . 0.3 OUTLIER -134.08 121.76 21.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.908 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -112.79 -32.83 6.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -178.59 -70.36 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.8 -99.38 0.14 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.48 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.506 ' C ' HD22 ' A' ' 55' ' ' LEU . 0.4 OUTLIER 62.24 166.54 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.912 0.387 . . . . 0.0 110.871 -179.731 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.506 HD22 ' C ' ' A' ' 54' ' ' SER . 4.2 mm? -120.7 51.75 1.22 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 64.49 154.32 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -168.03 179.25 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.1 p-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.891 -179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.837 0.351 . . . . 0.0 110.878 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ARG . . . . . . . . . . . . . 9.3 tmm_? -104.16 147.07 27.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . 0.571 HG11 ' CZ ' ' A' ' 19' ' ' PHE . 56.9 t -126.47 126.38 68.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 8.8 ttp180 -130.29 128.78 42.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.694 HG23 HG22 ' A' ' 8' ' ' ILE . 55.9 mt -125.18 125.78 69.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.166 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.87 136.45 52.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 -179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ILE . . . . . 0.573 HG23 HG12 ' A' ' 6' ' ' ILE . 28.8 mt -110.54 135.43 49.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.121 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -103.37 73.64 1.22 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -100.58 149.32 23.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.088 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.2 ptm180 -77.12 -40.65 44.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.01 146.12 40.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.114 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -29.86 70.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.0 -43.24 86.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.862 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.08 -52.17 45.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ALA . . . . . 0.701 ' HB1' HG21 ' B' ' 44' ' ' VAL . . . -58.48 -39.64 80.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.099 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -58.87 -40.79 85.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' LYS . . . . . . . . . . . . . 27.7 mmtt -64.91 -38.5 91.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.652 ' CZ ' HG11 ' A' ' 4' ' ' VAL . 56.1 m-85 -70.67 -44.05 67.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -55.98 -45.41 78.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.078 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.72 ' HA ' HD12 ' B' ' 24' ' ' ILE . . . -51.65 -47.96 63.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.111 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.745 HD13 ' CG1' ' A' ' 26' ' ' VAL . 6.7 mt -66.76 -48.32 80.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' B' ' 27' ' ' PHE . 1.1 mm? -51.45 -39.83 58.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' B' ' 21' ' ' ALA . 9.9 mt -60.07 -44.07 94.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -64.76 -42.08 95.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.751 ' CG1' HD13 ' A' ' 22' ' ' ILE . 15.7 t -64.69 -40.4 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' PHE . . . . . 0.562 ' CE2' HD12 ' B' ' 23' ' ' LEU . 8.0 m-85 -69.28 -42.7 75.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.85 -45.56 92.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.066 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -68.94 -18.5 64.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 36.3 mt -90.54 -10.44 43.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLY . . . . . . . . . . . . . . . 96.14 11.74 53.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' TYR . . . . . 0.601 ' CZ ' HD12 ' B' ' 50' ' ' LEU . 18.7 m-85 -94.27 36.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.913 0.387 . . . . 0.0 110.908 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -49.39 161.48 0.19 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t0 70.88 59.04 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.478 HD11 ' HA3' ' B' ' 48' ' ' GLY . 0.7 OUTLIER -90.79 148.99 4.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.175 179.948 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -129.1 122.17 29.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . . . . . . . . . 10.2 p -107.66 137.01 41.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' THR . . . . . . . . . . . . . 7.3 p -133.86 113.94 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.112 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' TRP . . . . . . . . . . . . . 67.4 p-90 -97.29 139.2 33.6 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.956 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -141.92 99.89 3.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.71 -86.09 1.51 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.502 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -147.31 17.28 1.19 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.85 0.357 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -126.19 121.87 34.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' VAL . . . . . 0.701 HG21 ' HB1' ' B' ' 16' ' ' ALA . 33.3 m -100.56 131.79 47.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.134 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 29.1 m -123.76 136.33 54.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.125 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' VAL . . . . . . . . . . . . . 9.0 p -111.72 137.27 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -120.12 116.06 24.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . 0.478 ' HA3' HD11 ' B' ' 35' ' ' ILE . . . -128.66 142.99 14.05 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.503 ' NE2' ' H ' ' B' ' 49' ' ' GLN . 1.9 pm0 -125.36 149.62 47.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.601 HD12 ' CZ ' ' B' ' 32' ' ' TYR . 0.3 OUTLIER -111.67 140.52 46.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.92 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.407 ' H ' HD23 ' B' ' 50' ' ' LEU . 16.3 pt-20 -120.54 -36.28 3.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.73 171.51 35.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -79.25 -158.74 14.22 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.466 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' SER . . . . . . . . . . . . . 6.0 m -160.05 165.97 30.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.927 0.394 . . . . 0.0 110.832 -179.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -104.37 -47.75 4.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -128.96 147.67 50.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -179.16 166.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.987 . . . . . . . . 0 0 . 1 stop_ save_