data_6o0c_residue ############################ # Computer software used # ############################ 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 6o0c _Structure_validation_residue.Date_analyzed 2020-04-17 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 ' 4' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.815 0.34 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.61 -53.42 46.22 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.23 -37.45 85.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.687 0.279 . . . . 0.0 111.141 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.69 -50.3 69.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.199 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.86 -45.12 95.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.194 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.9 -49.97 73.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.24 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -61.27 -32.67 72.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.2 tm? -62.09 -45.93 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.281 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.81 -36.76 84.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -67.3 -37.38 83.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.04 -43.55 95.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.35 -45.49 80.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.256 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.84 -43.81 77.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.2 -44.46 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.293 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.9 tp -55.05 -48.71 73.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.55 -40.66 88.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.24 -39.35 89.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 175.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.26 -49.95 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.1 -40.57 94.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.87 -38.91 92.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.97 83.73 8.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.247 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -55.59 135.63 70.23 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.75 1.633 . . . . 0.0 111.198 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -162.79 156.41 20.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.258 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.62 -38.36 77.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.19 -51.81 68.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.237 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.88 -33.84 76.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.5 -49.18 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.1 t -64.4 -43.57 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.2 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.04 -38.13 89.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.09 87.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.67 -46.57 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.73 -54.19 31.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.25 83.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.4 mt -64.15 -46.27 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.97 -43.99 99.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.24 -41.32 96.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.06 -42.59 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 174.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -58.2 -37.14 74.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.13 82.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -73.71 -34.87 65.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.293 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.425 HG23 HD11 ' C' ' 48' ' ' ILE . 63.4 mt -60.52 -46.93 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.239 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.69 -46.35 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -67.25 -38.02 84.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -174.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.0 -34.86 75.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.42 HD11 HG23 ' B' ' 44' ' ' ILE . 74.4 mt -65.2 -48.96 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 170.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -62.27 -51.19 68.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.227 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.58 -37.53 75.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.99 -44.67 95.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.178 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.47 -43.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.84 -40.64 98.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.72 -39.63 93.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -61.21 -39.55 90.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.62 -39.08 79.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.46 -40.55 89.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.95 -44.72 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.28 -41.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.27 -38.72 90.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.51 -40.43 96.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -61.8 -39.49 91.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.37 -41.1 96.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 175.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -37.21 85.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.3 mt -63.67 -41.73 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -55.81 -43.8 75.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.189 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.61 -46.84 87.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.232 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.36 81.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.41 -47.85 71.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.76 -33.62 74.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.02 -32.67 66.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.456 HD12 ' C ' ' A' ' 72' ' ' ILE . 2.8 pp -113.28 20.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -173.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.5 44.62 5.49 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 159.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.1 t -80.91 136.55 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.751 0.31 . . . . 0.0 111.2 166.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.58 124.49 16.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.6 -24.29 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.244 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.41 -32.48 39.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.281 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 97.1 mt -86.81 -47.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.9 mt -67.68 -39.54 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -170.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.38 -35.18 78.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.26 -172.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -68.09 -37.85 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.3 mtm -67.27 -37.43 83.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.91 -40.83 85.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.47 -44.86 95.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.21 -43.12 74.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.27 -37.52 85.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.29 -51.82 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -69.07 -38.43 79.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.01 -50.13 75.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.26 -44.69 72.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -54.62 -39.87 68.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.4 p -76.66 -10.55 59.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 -174.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.227 -179.088 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.822 0.344 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.74 -53.42 46.31 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.12 -37.48 85.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.188 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 36.5 tp -63.72 -50.23 69.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.97 -45.04 95.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -56.9 -50.05 73.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.3 m -61.22 -32.62 72.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.221 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.489 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.2 tm? -62.14 -45.92 91.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.82 -36.78 84.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.222 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -67.23 -37.39 83.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.302 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.01 -43.65 95.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -56.36 -45.42 80.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.244 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.87 -43.79 77.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.3 -44.37 99.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.294 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.07 -48.76 73.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.59 -40.52 87.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.226 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.36 -39.31 89.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 175.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.24 -49.98 75.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.01 -40.65 95.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.268 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.83 -38.88 92.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.257 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.97 83.7 8.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.227 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -55.61 135.64 70.31 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.751 1.634 . . . . 0.0 111.22 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -162.83 156.39 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.238 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.55 -38.44 77.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.237 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -51.88 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.231 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.85 -33.92 76.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.45 -49.27 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.8 t -64.34 -43.56 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.214 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.99 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.08 87.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.69 -46.61 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.63 -54.34 28.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.12 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.266 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.27 -46.23 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.2 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.93 -44.07 99.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.12 -41.35 96.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.06 -42.7 99.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.192 174.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -58.01 -37.25 73.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.04 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -73.82 -34.9 64.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.42 HG23 HD11 ' A' ' 48' ' ' ILE . 63.3 mt -60.48 -46.96 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.7 -46.37 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.19 -38.09 84.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -174.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.94 76.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.428 HD11 HG23 ' C' ' 44' ' ' ILE . 74.1 mt -65.21 -48.85 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 170.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -62.36 -51.22 68.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.44 75.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 68.1 mt -59.94 -44.72 95.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.52 -43.54 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.85 -40.69 98.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.62 -39.65 94.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.229 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -61.18 -39.54 90.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.226 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.03 79.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.223 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.54 -40.38 89.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 176.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.01 -44.75 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.29 -41.2 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.29 -38.72 90.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.188 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.51 -40.46 96.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.35 -41.0 96.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.16 85.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.82 -41.64 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 176.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -55.88 -43.7 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.174 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.76 -46.81 88.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.31 81.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.37 -47.93 71.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.74 -33.59 74.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.59 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.251 -175.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . 0.454 ' C ' HD12 ' B' ' 72' ' ' ILE . 2.8 pp -113.38 20.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 -173.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.49 44.54 5.51 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 159.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.84 136.56 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 0.0 111.211 166.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.58 124.48 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.7 -24.15 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.55 -32.4 40.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 97.0 mt -86.88 -47.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.178 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.69 -39.58 84.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -170.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.41 -35.11 78.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.22 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -68.15 -37.84 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 50.4 mtm -67.24 -37.5 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -58.99 -40.75 85.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.52 -44.77 95.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.21 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.25 -43.11 74.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.24 -37.57 85.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -177.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.26 -51.86 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.186 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.0 -38.42 79.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 59.8 tp -59.08 -50.1 75.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.21 -44.78 71.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -54.59 -39.88 68.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -76.63 -10.66 59.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.211 -174.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.249 -179.137 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.806 0.336 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.66 -53.4 46.41 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.22 -37.45 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 111.191 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 36.6 tp -63.62 -50.28 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.212 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -61.91 -45.1 95.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.83 -50.03 73.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.226 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -61.27 -32.63 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.224 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.489 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.2 tm? -62.17 -45.85 91.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.262 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.89 -36.7 84.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.211 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -67.35 -37.37 83.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.05 -43.55 95.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -56.48 -45.37 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.264 174.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.88 -43.79 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.29 -44.44 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.257 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.99 -48.78 72.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.49 -40.64 87.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.31 -39.38 89.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.24 -49.97 75.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.11 -40.6 94.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.226 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.83 -38.85 92.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.279 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.99 83.7 8.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.217 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -55.61 135.58 70.02 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.758 1.638 . . . . 0.0 111.242 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.2 p -162.74 156.48 20.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.62 -38.39 77.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.307 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.11 -51.81 68.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.277 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.89 -33.9 76.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.39 -49.24 83.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.39 -43.59 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.97 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.02 88.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.65 -46.62 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.243 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.78 -54.16 31.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.48 -38.18 83.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.24 -46.17 94.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.02 -43.98 99.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.18 -41.33 96.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.08 -42.58 99.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.24 -37.14 74.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -177.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.22 82.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -73.7 -34.88 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.224 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . 0.428 HG23 HD11 ' B' ' 48' ' ' ILE . 62.8 mt -60.54 -46.94 94.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.6 -46.4 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.19 -38.07 84.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -174.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.91 76.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . 0.425 HD11 HG23 ' A' ' 44' ' ' ILE . 74.1 mt -65.22 -48.93 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 170.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 -62.33 -51.19 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.51 -37.64 76.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 -175.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.86 -44.72 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.54 -43.47 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.91 -40.64 98.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 176.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.71 -39.56 93.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.283 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -61.19 -39.55 90.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.249 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.06 79.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.273 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.61 -40.27 88.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.14 -44.65 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.34 -41.2 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.2 -38.71 90.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.61 -40.45 96.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -61.72 -39.57 91.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.242 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.3 -41.09 96.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.74 -37.15 85.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 79.1 mt -63.65 -41.76 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 32.9 mm -55.76 -43.81 75.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.246 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.66 -46.81 87.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.231 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.33 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.38 -47.93 71.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -61.68 -33.62 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.296 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.95 -32.74 66.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' ILE . . . . . 0.457 ' C ' HD12 ' C' ' 72' ' ' ILE . 2.8 pp -113.3 20.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -173.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.52 44.57 5.5 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 159.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 54.0 t -80.87 136.51 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.698 0.285 . . . . 0.0 111.258 166.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.55 124.46 16.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.181 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.61 -24.24 65.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.188 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.49 -32.49 40.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 97.0 mt -86.83 -47.51 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 84.6 mt -67.7 -39.57 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -170.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.39 -35.21 78.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.194 -172.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -68.06 -37.87 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 50.3 mtm -67.3 -37.43 83.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.98 -40.8 85.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.099 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.44 -44.88 95.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.157 176.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.21 -43.15 74.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.2 -37.58 85.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.18 -51.91 67.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.99 -38.37 79.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.11 -50.05 75.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.27 -44.73 72.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.216 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -54.65 -39.87 68.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -76.57 -10.6 59.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 -179.031 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.786 0.326 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.98 -62.08 6.48 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.83 -34.99 72.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.732 0.301 . . . . 0.0 111.175 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.05 -49.95 75.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.208 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.27 -44.29 95.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -55.93 -47.7 77.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 174.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t -57.2 -41.86 80.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.68 -32.76 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.1 -41.27 99.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.224 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -69.3 -36.7 77.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.211 174.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.2 -39.18 85.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 175.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.41 -48.02 77.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 173.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.89 -38.31 85.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.49 -44.96 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.207 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.2 tp -57.13 -45.43 83.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.51 -46.72 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.248 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -64.02 -39.56 94.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.24 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.3 tp -60.83 -47.59 85.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.84 -42.36 81.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.63 -42.49 74.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.215 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.08 79.91 30.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -54.16 136.09 66.7 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.746 1.631 . . . . 0.0 111.167 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -164.3 157.03 17.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.2 -36.41 73.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.82 -52.44 65.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -68.46 -34.18 75.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.27 -49.81 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.162 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.1 t -64.44 -44.25 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.77 -39.49 94.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.5 72.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.29 -45.01 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.37 -53.95 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.25 93.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.32 -42.99 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.1 t -59.29 -47.45 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.26 -39.26 93.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.234 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.38 -41.31 98.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.237 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -60.14 -40.25 89.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.91 95.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.84 -36.97 83.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.219 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.95 -52.22 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.247 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.6 -42.49 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 -174.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.54 -39.85 95.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.96 83.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 173.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -74.79 -41.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -174.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.31 -43.67 79.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.252 171.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.3 86.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.8 -44.24 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.16 -42.92 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.12 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.01 -38.33 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -61.79 -39.05 90.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.26 -39.16 89.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.34 -39.17 92.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 84.9 mt -62.42 -41.72 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.257 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.86 -50.34 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.64 -35.74 80.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.155 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.44 -50.2 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 171.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -57.77 -38.7 75.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.236 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.31 -53.46 57.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.88 82.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.68 -47.83 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.71 -42.18 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.9 -39.84 90.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.0 96.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.44 -37.47 80.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.249 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.43 -40.88 96.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 173.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.28 78.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -69.98 -25.93 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.236 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.44 53.79 1.05 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 167.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.95 167.35 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 111.17 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -52.4 127.83 23.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.82 -37.09 70.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -58.26 -52.0 67.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 -176.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.85 -40.88 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.4 tp -54.3 -47.62 72.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.59 -41.02 93.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.25 -44.59 96.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.0 mtm -61.99 -42.22 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.38 -39.3 92.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.2 -48.9 76.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.263 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -60.18 -35.99 76.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.58 -50.65 72.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.67 -44.22 86.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.95 -41.92 97.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.229 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.2 tp -65.79 -47.03 76.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -61.76 -42.89 99.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.61 -34.71 76.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.4 m -68.24 -16.07 63.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.253 -175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 -176.368 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 78.4 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.83 0.348 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.96 -62.15 6.4 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.7 -35.0 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.09 -49.98 75.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.23 -44.32 95.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -55.9 -47.74 76.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t -57.2 -41.82 80.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.71 -32.82 74.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.07 -41.23 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -69.36 -36.72 77.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 174.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.2 -39.12 85.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.48 -47.99 78.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 173.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.9 -38.29 85.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.5 -44.94 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.219 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.12 -45.46 83.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.61 -46.66 77.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.91 -39.63 94.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.275 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 tp -60.83 -47.54 85.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.249 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.93 -42.32 81.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.62 -42.49 74.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -138.07 79.89 30.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -54.18 136.09 66.84 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.668 1.579 . . . . 0.0 111.205 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 92.7 p -164.25 157.06 17.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.24 -36.37 73.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.9 -52.43 65.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -68.36 -34.24 75.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.25 -49.77 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.224 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.53 -44.2 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.77 -39.49 94.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.46 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 88.3 mt -62.29 -45.0 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.4 -53.97 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.247 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.33 93.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.28 -43.03 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.25 -47.46 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.34 -39.23 93.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.32 -41.34 98.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.266 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.12 -40.28 89.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.95 95.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.195 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.82 -36.94 83.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.07 -52.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 48.1 t -61.57 -42.53 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.56 -39.9 95.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.179 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.99 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 173.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -74.75 -41.28 47.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 -174.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.33 -43.72 79.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.203 171.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.36 85.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.203 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.7 -44.31 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.13 -42.92 95.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.229 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.15 -39.36 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.215 175.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.05 -38.34 90.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -61.78 -39.05 90.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.13 89.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.286 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.35 -39.16 91.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.5 -41.73 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.86 -50.35 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -66.57 -35.81 81.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.198 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.36 -50.2 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 171.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -57.74 -38.78 75.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.16 -53.48 56.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.81 82.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 71.9 mt -61.76 -47.83 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.68 -42.18 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.92 -39.82 90.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.98 96.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.255 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.42 -37.54 80.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.203 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -61.39 -40.86 95.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.25 78.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -70.01 -25.93 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.48 53.73 1.05 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 167.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 31.5 m -75.92 167.35 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 111.196 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . 0.402 ' OD2' ' NZ ' ' B' ' 77' ' ' LYS . 20.1 t0 -52.42 127.89 23.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.244 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.87 -37.06 70.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.217 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.402 ' NZ ' ' OD2' ' B' ' 75' ' ' ASP . 38.4 mtmm -58.21 -52.12 66.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -176.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.76 -40.92 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 64.5 tp -54.32 -47.59 72.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.61 -40.97 93.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.231 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.21 -44.62 96.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 177.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.06 -42.23 98.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.176 -178.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -62.28 -39.38 92.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.274 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.21 -48.87 76.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.231 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.17 -36.05 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.56 -50.64 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.67 -44.28 86.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.91 -41.9 97.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.82 -47.02 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.221 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -61.79 -42.87 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.6 -34.74 76.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 70.1 m -68.21 -16.09 63.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -175.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -176.357 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.89 0.376 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.96 -62.13 6.42 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.73 -35.04 72.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 111.186 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.07 -49.96 75.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -60.24 -44.34 95.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -55.88 -47.73 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 46.7 t -57.12 -41.88 79.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 46.8 mt -64.72 -32.77 74.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.01 -41.38 99.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -69.24 -36.7 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.232 174.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.16 -39.22 85.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 175.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.41 -48.02 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.87 -38.3 85.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.48 -45.01 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.185 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.09 -45.49 83.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.54 -46.74 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.231 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -63.92 -39.64 94.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.255 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 tp -60.77 -47.54 85.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.267 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.91 -42.32 81.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -176.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.61 -42.54 74.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.196 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.1 79.89 30.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -54.17 136.15 66.97 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.69 1.593 . . . . 0.0 111.203 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -164.32 157.03 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.27 -36.37 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -60.86 -52.41 65.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -68.38 -34.24 75.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.25 -49.8 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.47 -44.25 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.76 -39.48 94.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.5 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.25 -45.05 99.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.221 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.45 -53.92 20.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.35 93.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.27 -42.98 97.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.27 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 68.3 t -59.29 -47.46 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.31 -39.22 93.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.39 -41.27 98.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.232 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.11 -40.26 89.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.95 95.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.222 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.79 -36.98 83.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.204 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.01 -52.21 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.241 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.47 -42.57 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 -174.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.54 -39.84 95.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.94 83.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 173.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 78.3 mt -74.8 -41.31 47.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -174.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.32 -43.67 79.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.27 -42.23 86.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.76 -44.32 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.08 -42.99 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.14 -39.35 94.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.199 175.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.13 -38.23 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -61.81 -39.07 90.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.232 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.18 89.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.253 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.27 -39.15 92.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.42 -41.81 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.232 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.75 -50.43 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.59 -35.76 80.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.169 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.4 -50.14 74.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.169 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -57.79 -38.74 76.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.21 -53.48 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.8 82.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 71.9 mt -61.73 -47.83 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.66 -42.2 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.92 -39.81 90.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.02 96.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.198 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.44 -37.49 80.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.183 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.47 -40.8 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 173.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.27 78.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -70.0 -25.88 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.4 53.75 1.05 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 167.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 31.2 m -75.92 167.33 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.212 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . 0.402 ' OD2' ' NZ ' ' C' ' 77' ' ' LYS . 20.2 t0 -52.39 127.87 23.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.87 -37.04 70.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' LYS . . . . . 0.402 ' NZ ' ' OD2' ' C' ' 75' ' ' ASP . 38.5 mtmm -58.32 -51.98 67.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -176.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.84 -40.89 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.199 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 64.5 tp -54.38 -47.56 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.66 -40.96 94.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.21 -44.59 97.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.05 -42.2 98.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.31 -39.33 92.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.304 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.19 -48.93 76.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.251 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.14 -36.03 76.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.52 -50.67 72.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.68 -44.21 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.98 -41.88 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.251 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.79 -47.1 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.188 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -61.75 -42.86 99.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.58 -34.79 76.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 70.6 m -68.2 -16.05 63.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.254 -175.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 -176.307 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.722 0.296 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.89 -33.75 84.67 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.83 -35.31 38.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 111.203 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.05 -40.68 96.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -64.94 -43.69 91.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -58.35 -47.72 82.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 174.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m -58.45 -40.88 83.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.243 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.87 -36.37 83.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -67.94 -42.6 80.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -70.11 -39.27 75.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.237 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.05 -44.74 96.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -57.95 -47.55 82.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 174.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.81 -45.53 70.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.22 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.39 -44.22 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.13 -48.03 74.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.169 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.08 -44.03 91.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.43 -38.51 91.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.195 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.93 -49.91 74.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.264 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.07 -41.22 95.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.32 -39.11 92.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.34 84.68 7.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.258 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -55.23 135.61 69.71 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.657 1.571 . . . . 0.0 111.228 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.9 p -162.96 156.9 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.26 -38.7 77.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.28 -51.62 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.66 -33.32 74.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.5 -49.14 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 177.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.61 -43.52 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.06 -39.71 95.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.257 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.63 -47.3 86.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 175.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.67 -47.07 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.3 -51.75 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.229 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.65 80.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.256 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.24 -45.58 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.95 -45.85 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.74 -42.01 97.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -59.67 -48.01 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.83 -41.05 85.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.05 93.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.3 -39.5 94.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.24 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.2 -47.44 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -70.59 -42.48 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -175.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.92 -36.59 83.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.35 -49.33 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.7 -22.98 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -173.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -46.34 -48.54 18.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.236 168.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.59 95.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.12 -47.01 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.265 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.55 -45.5 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.243 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.18 -39.94 96.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.223 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.5 -41.11 98.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -59.34 -41.74 89.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.41 90.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.03 -36.73 80.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.5 -42.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.24 -45.0 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.58 -38.86 92.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -58.93 -49.86 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.05 -37.73 77.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.22 -49.16 78.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.194 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.0 74.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.175 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.3 mt -65.51 -51.74 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.19 -25.19 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -173.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.41 -41.56 84.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 169.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.31 79.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.207 175.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.49 -43.74 96.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.246 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -58.57 -38.98 79.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.95 -27.4 65.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 pt -111.61 24.15 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -173.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 16.13 58.45 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 158.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.68 137.32 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.232 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -47.88 119.17 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -173.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -62.25 -32.8 73.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.195 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.21 -52.78 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.64 -42.06 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.209 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.45 -39.29 91.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.162 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -63.39 -36.99 85.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.26 -40.24 93.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 176.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 70.1 mtm -70.31 -36.72 74.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -56.48 -46.88 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.2 -49.99 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.21 176.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.34 -47.12 66.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.75 -40.87 92.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.221 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.45 -40.44 97.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.231 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.81 -40.49 97.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.298 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.94 -39.94 90.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.47 -40.76 79.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.8 -34.71 60.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.7 t -55.48 -42.13 73.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.275 -175.214 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.765 0.317 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.8 -33.81 84.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.71 -35.42 39.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 111.238 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.01 -40.69 96.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.263 175.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -64.97 -43.71 91.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.222 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -58.23 -47.81 82.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.249 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 57.7 m -58.41 -40.98 83.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.3 mt -63.85 -36.28 83.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.96 -42.68 80.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -70.05 -39.29 75.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.274 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.03 -44.64 96.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.02 -47.47 82.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -53.95 -45.48 71.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.29 -44.28 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.175 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 62.8 tp -55.15 -47.98 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.185 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.14 -43.99 92.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.207 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.45 -38.51 91.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 176.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.87 -50.0 73.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.07 -41.18 95.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.3 -39.14 92.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.35 84.68 7.73 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.232 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -55.19 135.53 69.3 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.741 1.628 . . . . 0.0 111.195 -178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.8 p -162.97 156.83 20.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.18 -38.72 77.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.221 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.2 -51.65 69.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.69 -33.3 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.222 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.48 -49.1 84.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.166 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 72.9 t -64.65 -43.5 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.254 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.12 -39.58 95.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.7 -47.27 86.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.249 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.68 -47.05 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.249 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.29 -51.83 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.71 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.26 -45.57 93.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.82 -45.91 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.8 -41.98 97.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.58 -48.06 83.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 177.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.78 -41.1 85.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.07 92.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.241 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.25 -39.58 94.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.255 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.2 -47.32 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.269 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 76.4 t -70.71 -42.45 77.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 -175.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.95 -36.6 83.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.26 -49.35 19.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.71 -22.94 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 -173.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -46.31 -48.58 18.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 168.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.6 95.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.14 -46.93 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.236 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.58 -45.56 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.13 -39.96 96.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -63.5 -41.14 98.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.207 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -59.32 -41.8 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.36 90.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.05 -36.81 80.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.48 -42.49 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.32 -44.92 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.68 -38.84 92.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.89 -49.84 76.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.197 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.11 -37.69 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.24 -49.18 78.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.09 -36.02 74.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.265 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 88.5 mt -65.45 -51.8 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.303 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 39.9 pt -72.11 -25.22 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.2 -173.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.43 -41.49 84.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 169.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.13 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.239 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.55 -43.69 96.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.24 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -58.53 -39.08 79.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.38 65.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 pt -111.63 24.14 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 16.16 58.41 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 158.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.75 137.29 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.172 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -47.82 119.16 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -173.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.38 -32.71 73.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -173.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.24 -52.81 63.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -174.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.71 -41.98 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.46 -39.28 91.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -63.46 -37.05 85.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.16 -40.28 93.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.236 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.1 mtm -70.23 -36.8 74.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.41 -46.9 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.17 -49.97 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.263 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.34 -47.14 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.75 -40.84 92.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.261 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.41 -40.57 97.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.73 -40.62 97.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.19 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 83.4 mt -65.87 -39.97 91.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.5 -40.68 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.91 -34.57 59.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.253 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 37.4 t -55.51 -42.18 74.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 -175.165 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.764 0.316 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.93 -33.69 84.59 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.86 -35.23 38.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 111.263 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.07 -40.72 96.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -64.83 -43.8 91.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -58.26 -47.78 82.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 174.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -58.41 -40.99 83.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.238 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.8 -36.34 83.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -67.91 -42.67 80.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.236 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -70.1 -39.29 75.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.01 -44.72 96.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.283 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -57.98 -47.43 83.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.186 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.89 -45.6 71.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.32 -44.2 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.15 -48.01 74.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.203 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.1 -43.97 91.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.44 -38.56 91.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.88 -49.96 74.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.02 -41.21 95.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -176.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.25 -39.2 92.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.34 84.7 7.73 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.255 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -55.21 135.59 69.61 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.677 1.585 . . . . 0.0 111.247 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.1 p -162.97 156.85 20.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.22 -38.66 77.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.202 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.23 -51.74 68.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.63 -33.29 74.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.44 -49.11 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.72 -43.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.191 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.17 -39.61 95.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -47.18 86.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.77 -47.02 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.3 -51.76 61.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.71 80.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.18 -45.61 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -58.92 -45.86 91.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.75 -42.11 97.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -59.41 -48.15 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -58.79 -41.04 85.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.03 93.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.27 -39.5 94.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.252 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.27 -47.4 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -70.62 -42.44 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -175.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.98 -36.56 83.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.32 -49.35 19.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.68 -23.09 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 -173.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -46.2 -48.64 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.221 168.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.65 95.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.18 -46.97 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.53 -45.54 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.11 -40.0 96.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.57 -41.13 98.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -59.28 -41.75 89.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.43 90.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -67.99 -36.78 80.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 83.8 mt -62.44 -42.5 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.3 -44.97 96.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.58 -38.86 92.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.91 -49.82 76.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.09 -37.7 77.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.32 -49.17 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.88 74.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.59 -51.74 59.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.231 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.16 -25.21 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.36 -41.59 84.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 169.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.22 78.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.244 175.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.6 -43.71 96.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -58.45 -39.11 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.213 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.95 -27.26 65.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 43.7 pt -111.69 24.19 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 -173.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.92 16.02 58.59 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 159.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.62 137.26 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -47.8 119.14 2.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 -173.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.3 -32.83 73.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.15 -52.8 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 -174.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.81 -41.96 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.44 -39.28 91.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -63.5 -36.97 85.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.24 -40.21 93.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.199 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 70.2 mtm -70.26 -36.79 74.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.241 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.35 -46.97 79.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.18 -49.96 73.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.236 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.36 -47.18 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.68 -40.86 92.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.243 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.43 -40.59 97.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.79 -40.48 97.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.248 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 83.3 mt -65.93 -39.95 90.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.47 -40.78 79.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.7 -34.77 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 38.1 t -55.46 -42.14 73.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.235 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.272 -175.205 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.793 0.33 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.32 -28.66 69.69 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -74.05 -40.03 63.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 111.215 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.99 -42.28 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 175.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' A' ' 12' ' ' GLU . 64.8 tttm -59.52 -49.57 77.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.22 -48.24 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.282 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -59.14 -42.38 90.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.69 -40.43 94.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 98.4 mt-10 -62.79 -41.49 99.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.199 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.21 -37.68 75.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.48 -47.12 87.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.21 -37.02 82.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.248 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.24 -49.93 74.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.19 -41.96 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 tp -53.94 -51.14 64.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.51 -40.09 81.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.77 -41.03 97.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 176.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.3 -42.8 92.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.82 -35.53 76.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -80.17 -48.95 12.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.27 83.54 17.52 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.256 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -56.53 143.21 88.89 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.703 1.602 . . . . 0.0 111.185 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.4 p -160.47 150.0 17.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.279 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.72 -39.28 80.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -58.31 -52.97 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.242 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.9 -29.97 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.282 -174.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.03 -46.49 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.17 -40.86 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.227 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.26 -39.94 92.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.18 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.5 -44.14 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -49.95 -52.48 33.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.39 96.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.155 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.57 -46.7 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.183 -177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.16 -46.93 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -69.93 -34.92 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.13 -47.39 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.04 -41.58 88.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.82 94.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.75 -42.44 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.07 -54.42 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.3 t -59.92 -46.9 93.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -172.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -66.35 -34.83 78.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.29 -55.03 13.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 pt -67.42 -24.96 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -171.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -57.54 -38.01 74.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.67 71.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.193 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.95 -43.8 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.176 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.21 -46.23 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.58 -42.26 98.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -71.39 -31.13 66.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.471 HD22 ' HA ' ' A' ' 55' ' ' ASN . 7.6 m120 -59.72 -52.17 66.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 174.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.84 -37.2 73.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.16 -52.55 26.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.25 -31.35 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.206 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.03 -48.05 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.255 175.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -60.02 -35.44 75.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.229 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -57.34 -29.32 63.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.222 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.82 -26.81 68.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.55 -47.73 83.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.11 88.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.16 -46.53 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.8 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.218 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.84 -40.23 94.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.96 97.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.276 175.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.3 mt -67.3 -36.33 81.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.266 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.84 -40.78 95.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.11 -46.99 84.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.241 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.5 tp -70.8 -25.98 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.271 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.04 55.59 1.12 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 166.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.2 m -80.19 169.12 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.191 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -54.77 125.55 20.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -176.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.81 -32.25 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.243 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.11 -23.26 65.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -175.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.6 mm -90.22 -39.14 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.25 -41.02 87.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.252 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.2 -40.58 90.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -71.08 -43.2 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.191 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.2 -38.7 92.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.174 -177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.96 -39.07 93.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.39 -41.22 93.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.55 -38.9 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.41 -51.46 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.15 -39.15 93.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.25 -40.62 74.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.4 mt -59.68 -43.62 93.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.68 -41.24 96.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.49 -43.99 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.0 t -72.07 -55.35 7.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 -169.326 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.849 0.357 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.37 -28.58 69.62 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -74.1 -40.09 62.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.99 -42.23 97.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.411 ' NZ ' ' OE2' ' B' ' 12' ' ' GLU . 64.8 tttm -59.54 -49.63 77.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -54.1 -48.28 70.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.303 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -59.27 -42.32 90.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.74 -40.33 94.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.276 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.411 ' OE2' ' NZ ' ' B' ' 8' ' ' LYS . 98.4 mt-10 -62.88 -41.44 99.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.26 -37.61 74.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.172 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.46 -47.14 87.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.2 -37.09 83.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.18 -49.95 74.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.22 -41.97 92.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 tp -53.94 -51.13 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.46 -40.15 81.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.83 -41.05 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.29 -42.79 92.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.8 -35.58 76.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -80.2 -48.89 12.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.244 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.26 83.5 17.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -56.48 143.26 88.2 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.64 1.56 . . . . 0.0 111.208 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -160.53 150.03 17.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.301 175.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.8 -39.17 80.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.46 -52.88 63.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -71.91 -29.92 64.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.254 -174.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.11 -46.46 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.7 t -64.29 -40.77 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.28 -39.91 92.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.21 82.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 90.9 mt -60.44 -44.12 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -49.95 -52.49 33.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.229 175.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.36 97.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 80.8 mt -64.56 -46.66 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.16 -46.81 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -70.05 -34.95 73.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.02 -47.47 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.08 -41.53 88.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.85 94.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.76 -42.4 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.4 ' O ' HG12 ' B' ' 48' ' ' ILE . 93.3 mt -62.05 -54.57 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.186 178.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.86 -46.93 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 -172.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -66.27 -34.94 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.11 -55.17 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.4 HG12 ' O ' ' B' ' 44' ' ' ILE . 37.6 pt -67.35 -24.98 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -171.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -57.5 -38.02 73.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.63 71.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.283 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.98 -43.77 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.4 t -58.13 -46.33 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.62 -42.2 98.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.39 -31.19 67.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . 0.413 ' HA ' HD22 ' B' ' 55' ' ' ASN . 7.6 m120 -59.61 -52.22 66.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 174.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.24 73.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.198 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.08 -52.58 27.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.2 -31.37 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.17 -47.94 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.256 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -60.0 -35.48 75.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.21 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.31 -29.33 63.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.9 -26.77 68.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.57 -47.69 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.222 175.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.09 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.24 -46.5 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.84 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.93 -40.19 94.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.93 97.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.267 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.38 -36.27 81.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.95 -40.79 95.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.0 -47.1 84.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.25 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 7.6 tp -70.8 -25.95 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.01 55.6 1.12 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 166.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 m -80.23 169.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 111.133 173.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -54.76 125.56 20.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.88 -32.22 67.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.19 -23.13 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 -175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 45.3 mm -90.21 -39.21 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.12 -41.14 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.28 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.12 -40.61 90.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.244 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -71.11 -43.23 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.222 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.15 -38.69 92.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.92 -39.14 93.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.43 -41.12 93.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.6 -38.8 90.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 58.6 tp -58.46 -51.44 69.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.11 -39.21 94.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.201 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.15 -40.7 74.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 41.4 mt -59.69 -43.54 94.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.78 -41.15 96.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.255 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.52 -44.0 72.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.248 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 42.9 t -72.07 -55.35 7.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -169.388 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.876 0.369 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.36 -28.61 69.66 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -74.08 -39.98 63.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 111.243 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.05 -42.25 97.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.248 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . 0.435 ' NZ ' ' OE2' ' C' ' 12' ' ' GLU . 64.7 tttm -59.51 -49.56 77.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.195 177.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.3 -48.19 71.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -59.26 -42.27 90.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.7 -40.36 94.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.304 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' GLU . . . . . 0.435 ' OE2' ' NZ ' ' C' ' 8' ' ' LYS . 98.4 mt-10 -62.93 -41.44 99.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.24 -37.65 75.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.41 -47.15 87.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -67.17 -37.09 83.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.2 -49.99 74.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.21 -41.9 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 40.9 tp -53.93 -51.14 64.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.54 -40.05 81.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.73 -41.06 97.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 176.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.5 mt -65.34 -42.76 92.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.92 -35.51 76.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -80.13 -48.87 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.318 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.3 83.53 17.47 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.232 -174.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -56.53 143.29 88.58 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.623 1.549 . . . . 0.0 111.273 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 87.5 p -160.51 150.05 17.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.268 175.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.79 -39.18 80.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.243 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -58.44 -52.88 63.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.94 -29.92 64.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.274 -174.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.09 -46.52 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 65.5 t -64.22 -40.78 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.21 -39.95 92.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.07 83.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.51 -44.14 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -49.97 -52.53 32.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.41 96.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 80.1 mt -64.6 -46.7 91.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.16 -46.85 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -177.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -70.03 -34.91 73.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.07 -47.4 85.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 173.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.1 -41.46 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.82 94.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.8 -42.39 99.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . 0.404 ' O ' HG12 ' C' ' 48' ' ' ILE . 93.2 mt -62.06 -54.59 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.88 -46.86 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -172.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.31 -34.86 78.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.26 -55.1 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 177.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . 0.404 HG12 ' O ' ' C' ' 44' ' ' ILE . 37.6 pt -67.34 -25.02 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 -171.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -57.56 -37.93 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.63 71.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.236 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.94 -43.79 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.2 -46.29 88.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.54 -42.23 98.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.205 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.41 -31.17 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . 0.465 HD22 ' HA ' ' C' ' 55' ' ' ASN . 7.6 m120 -59.63 -52.22 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.226 174.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.16 73.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.13 -52.59 26.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.224 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.24 -31.35 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -66.2 -47.95 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -59.93 -35.56 75.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -57.24 -29.41 63.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.223 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.82 -26.74 68.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.6 -47.82 83.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.05 87.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.281 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.25 -46.54 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.76 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.84 -40.16 94.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.92 97.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 175.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.33 -36.3 81.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.89 -40.82 95.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 175.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.1 84.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.234 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 7.5 tp -70.66 -26.06 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.262 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.11 55.62 1.11 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 166.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 21.1 m -80.22 169.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 111.142 173.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -54.74 125.6 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 -176.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.93 -32.18 67.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.205 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.1 -23.28 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 45.4 mm -90.18 -39.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.206 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 84.2 mt -59.26 -41.01 87.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.25 -40.51 90.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -71.17 -43.12 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -176.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.28 -38.63 91.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.95 -39.15 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.188 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.41 -41.13 93.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.63 -38.85 90.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.42 -51.51 69.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.14 -39.17 93.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.31 -40.51 74.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.79 -43.52 94.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 175.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.74 -41.21 96.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.231 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.48 -44.06 72.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.229 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 42.7 t -71.98 -55.42 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.237 -169.4 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp . . . . . 0 CA--C 1.524 -0.053 0 CA-C-O 120.798 0.332 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.74 -32.08 80.38 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.51 -30.62 26.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 0.0 111.126 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.2 -46.37 89.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 172.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -54.05 -51.78 62.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.269 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -54.67 -46.97 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -56.62 -40.69 75.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 mt -69.44 -33.52 73.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.261 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.19 -40.19 95.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.274 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.04 -37.57 75.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.22 -38.0 82.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -60.09 -44.34 94.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.51 -38.39 84.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.91 -46.29 92.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 174.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.19 -47.28 81.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.16 -41.65 88.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.28 -40.66 96.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 174.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.15 -48.09 83.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.12 -43.1 88.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.247 -176.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.52 -39.29 88.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.67 85.6 7.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.2 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.29 136.54 73.97 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.795 1.663 . . . . 0.0 111.147 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.4 p -161.99 156.18 21.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.26 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.56 -38.8 78.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.75 -51.1 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.11 -32.72 72.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -175.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.15 -49.06 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.37 -43.46 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.13 -39.13 93.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -49.76 74.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.186 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.03 -45.92 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.189 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.03 -53.7 31.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.268 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.51 90.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.5 -44.53 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.0 t -59.46 -46.19 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.243 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.35 -38.96 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.57 -38.1 88.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.15 -38.89 84.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.294 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.77 95.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.4 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.78 -45.26 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.255 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.59 -42.65 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.92 -39.02 93.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.96 -41.37 99.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.262 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.89 -46.99 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.29 -43.01 64.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.48 80.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.502 HG21 HG21 ' B' ' 51' ' ' ILE . 29.5 mt -67.17 -44.44 87.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.22 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.39 -45.56 85.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.199 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -68.97 -43.55 74.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -54.78 -42.93 72.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -58.96 -44.65 91.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.211 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.8 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.02 -37.41 81.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.76 -42.41 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.8 t -57.55 -45.3 86.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -65.98 -36.42 83.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.89 -43.5 98.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -60.22 -39.93 88.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -58.36 -48.54 80.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.98 82.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.204 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.01 -46.65 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.29 -42.6 94.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.236 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.47 -39.75 92.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.08 98.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 174.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.93 -37.53 87.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.228 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.21 -42.22 96.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.43 -37.15 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.47 -44.58 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.259 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.94 40.13 0.92 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.3 t -63.58 142.85 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 171.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -37.86 131.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.211 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -56.55 -44.77 81.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.428 ' NZ ' ' OE2' ' A' ' 81' ' ' GLU . 66.0 tttm -58.72 -47.1 85.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 87.1 mt -59.02 -44.18 90.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.254 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.0 -44.02 97.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.242 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.41 -41.52 98.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.428 ' OE2' ' NZ ' ' A' ' 77' ' ' LYS . 97.1 mt-10 -61.37 -42.03 98.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.216 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.37 -40.3 89.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.24 -44.74 82.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.71 -43.05 94.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.93 -41.0 91.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.8 tp -68.49 -44.42 74.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.91 -39.77 93.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.56 -39.29 84.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.17 -44.49 97.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.09 -47.35 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.23 -36.9 81.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.305 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.9 p -72.1 -11.82 60.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.209 -177.625 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 CA--C 1.523 -0.082 0 CA-C-O 120.853 0.359 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.82 -32.05 80.44 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.39 -30.71 27.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.159 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.13 -46.31 89.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.296 172.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -54.18 -51.63 63.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.252 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -54.86 -46.85 74.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.212 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.4 m -56.64 -40.69 75.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.7 mt -69.47 -33.49 72.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.25 -40.19 95.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.2 -37.98 81.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -59.98 -44.54 94.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 175.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.42 -38.37 83.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.25 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.0 -46.22 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.222 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.26 -47.24 81.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -59.1 -41.72 88.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.3 -40.59 96.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 174.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.24 -48.06 83.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.203 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.14 -43.11 88.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.5 -39.35 88.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 -178.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.65 85.64 7.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -55.24 136.46 73.51 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.803 1.668 . . . . 0.0 111.106 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.6 p -161.93 156.13 22.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.245 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.45 -38.75 78.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.83 -51.08 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.227 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -69.2 -32.61 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -175.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.0 mt -63.17 -49.06 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.31 -43.49 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.22 -39.09 93.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.74 74.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.266 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.03 -45.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.293 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.16 -53.71 32.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.63 90.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.56 -44.38 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.295 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.52 -46.22 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.194 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.34 -38.96 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.52 -38.25 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.02 -39.02 84.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.283 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.78 95.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.42 -38.36 90.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.87 -45.14 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.241 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.0 t -59.59 -42.66 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.97 -39.03 93.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.31 99.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.251 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.99 -46.91 90.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.37 -43.04 64.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.51 80.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.502 HG21 HG21 ' A' ' 51' ' ' ILE . 29.5 mt -67.21 -44.41 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 178.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.38 -45.65 85.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.227 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -68.82 -43.59 75.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -54.88 -42.79 72.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -58.97 -44.81 91.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.91 88.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.24 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.0 -37.36 81.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.87 -42.34 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.53 -45.33 86.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.98 -36.39 83.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.261 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.88 -43.39 98.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.236 174.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.24 -39.92 88.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -58.46 -48.51 80.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.99 82.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.98 -46.74 93.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.27 -42.49 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.323 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.55 -39.8 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.06 98.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 173.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.01 -37.48 87.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.194 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.22 -42.29 96.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 175.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.35 -37.21 77.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 90.2 mt -66.47 -44.6 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.92 40.11 0.92 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t -63.55 142.88 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 111.17 171.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -37.9 131.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.43 -44.88 80.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 -175.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' B' ' 81' ' ' GLU . 66.0 tttm -58.64 -47.16 85.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -175.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.0 -44.24 90.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.02 -43.93 97.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.287 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.33 -41.64 98.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.223 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' B' ' 77' ' ' LYS . 97.2 mt-10 -61.35 -42.03 98.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.286 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.29 -40.29 89.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.194 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.22 -44.74 82.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.242 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.79 -42.93 94.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.201 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -66.01 -40.89 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.205 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 45.9 tp -68.58 -44.43 74.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.83 -39.85 93.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.248 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.58 -39.2 84.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.21 -44.54 97.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -55.1 -47.29 75.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.3 -36.91 81.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 57.1 p -72.18 -11.72 60.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -172.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -177.619 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp . . . . . 0 CA--C 1.523 -0.091 0 CA-C-O 120.884 0.374 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.88 -31.97 80.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.5 -30.58 27.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 0.0 111.161 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 tp -62.28 -46.29 89.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.232 172.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -54.19 -51.65 63.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.227 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -54.71 -46.94 74.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.5 m -56.64 -40.64 75.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.22 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -69.58 -33.42 72.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.2 -40.26 95.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.03 -37.51 75.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.2 -38.0 81.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.261 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -60.03 -44.46 94.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.46 -38.44 84.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.93 -46.18 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.24 -47.3 81.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.08 -41.64 88.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.34 -40.57 96.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.25 -48.05 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.1 -43.18 88.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.53 -39.24 88.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.66 85.66 7.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.258 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.34 136.49 73.83 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.747 1.632 . . . . 0.0 111.21 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 95.3 p -161.93 156.14 22.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.273 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.46 -38.8 78.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.259 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.68 -51.2 70.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.259 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.08 -32.7 72.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.207 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 82.5 mt -63.1 -49.09 84.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.3 -43.51 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.189 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.12 -39.14 93.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.7 74.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.294 175.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.05 -45.87 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.15 -53.6 33.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.228 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.58 91.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.53 -44.45 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 75.3 t -59.59 -46.09 93.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.281 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.33 -39.02 93.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.53 -38.15 88.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -60.08 -38.95 84.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.85 95.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.35 -38.44 91.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.83 -45.19 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.227 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 44.2 t -59.56 -42.62 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.95 -39.0 93.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.213 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.41 99.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.228 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.88 -46.99 90.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.35 -42.98 64.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.53 -44.38 80.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . 0.499 HG21 HG21 ' B' ' 51' ' ' ILE . 29.3 mt -67.21 -44.48 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 51.3 t -57.36 -45.61 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.212 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -68.81 -43.61 75.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.82 -42.89 72.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -58.96 -44.78 91.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.9 88.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -67.96 -37.41 81.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.268 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -61.88 -42.32 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.229 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 42.8 t -57.49 -45.37 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.96 -36.45 83.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -62.93 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.218 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.3 -39.9 88.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -58.42 -48.53 80.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.53 -39.03 82.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.95 -46.64 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.22 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.32 -42.57 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.237 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.59 -39.64 91.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.01 98.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.96 -37.51 87.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.269 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.15 -42.23 96.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.242 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.41 -37.07 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.235 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.55 -44.63 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.92 40.19 0.92 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 52.2 t -63.68 142.91 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.376 . . . . 0.0 111.073 171.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -37.89 131.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -56.48 -44.84 81.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' C' ' 81' ' ' GLU . 66.0 tttm -58.67 -47.07 85.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.249 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.02 -44.26 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.97 -43.94 97.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.297 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.37 -41.61 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' C' ' 77' ' ' LYS . 97.1 mt-10 -61.43 -41.95 97.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.183 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.46 -40.25 89.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.23 -44.74 82.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.79 -42.94 94.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.94 -41.0 91.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.56 -44.36 74.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.194 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.96 -39.79 93.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.52 -39.27 85.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.22 -44.48 97.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.246 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.14 -47.27 75.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.32 -36.91 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.264 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 56.9 p -72.13 -11.74 60.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 -173.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -177.609 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.696 0.284 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.88 -56.47 18.4 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.74 -37.22 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.76 0.314 . . . . 0.0 111.139 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.68 -49.36 77.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.261 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.84 -44.28 86.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -56.05 -49.59 73.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -60.41 -36.66 78.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.572 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.5 tm? -63.15 -46.88 85.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -36.98 85.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.69 -38.39 83.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.211 175.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.5 tp -60.22 -43.58 95.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 174.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.58 -46.34 80.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.204 174.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -55.15 -46.18 75.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.51 -43.11 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 tp -55.12 -49.54 71.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.98 -40.38 88.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.31 -39.86 93.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.42 -50.31 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.01 -40.33 96.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -175.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.46 -41.54 84.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.226 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.46 79.51 35.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.94 135.08 66.89 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.69 1.593 . . . . 0.0 111.159 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.9 p -165.58 156.97 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.66 -38.21 77.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.249 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.66 -51.55 69.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.5 -33.56 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.28 -49.49 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.94 -43.07 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.09 -38.61 91.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.95 88.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.211 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.35 -46.48 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.93 -53.52 48.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.84 83.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.96 -46.04 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.249 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.28 -43.81 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.96 -40.68 96.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -58.99 -50.4 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 174.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -58.99 -43.79 91.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.7 86.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.218 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.7 -37.43 82.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.51 -46.36 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.83 -41.66 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.286 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -62.06 -43.56 98.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.98 80.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.26 -40.79 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.63 -51.94 34.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.27 171.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.43 93.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.7 mt -64.43 -45.69 95.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.213 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.93 -44.08 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.84 -40.74 96.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 176.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.56 -43.57 98.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 176.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -59.65 -43.35 93.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.88 95.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -65.03 -40.0 94.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.27 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.91 -41.69 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.184 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.0 t -57.61 -47.67 84.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.77 -36.09 81.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.36 -48.44 79.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.53 -40.43 91.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.218 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.9 -51.78 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.04 80.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.89 -46.76 90.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.86 -44.54 99.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.268 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.78 -37.03 85.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 176.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.92 95.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.33 -39.13 93.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.28 -42.38 98.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.33 82.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.89 -42.2 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.75 33.02 1.34 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.88 143.99 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.274 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' A' ' 77' ' ' LYS . 19.0 t0 -43.11 129.86 4.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.235 176.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.49 -28.58 70.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 -173.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' NZ ' ' OD2' ' A' ' 75' ' ' ASP . 38.4 mtmm -61.92 -56.98 13.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.262 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.74 -30.84 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.6 -48.48 80.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -57.03 -47.93 79.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 176.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -56.24 -48.9 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.4 mtm -62.13 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 -175.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.04 -42.37 97.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.171 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.12 -41.52 81.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.266 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.88 -39.01 87.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.185 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.78 -47.22 78.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.13 -35.32 75.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.58 -38.51 87.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.194 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.12 -49.16 78.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 171.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -56.0 -48.88 75.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.226 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.78 -43.88 94.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -60.18 -39.67 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.272 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.5 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 177.71 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.8 tp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.812 0.339 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.85 -56.54 17.96 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.62 -37.27 84.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.67 -49.45 77.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.82 -44.28 86.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -55.97 -49.59 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.5 m -60.38 -36.67 78.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.572 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.5 tm? -63.22 -46.83 85.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -37.04 85.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.55 -38.42 84.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.182 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 40.1 tp -60.33 -43.56 96.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 174.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.56 -46.35 80.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -55.1 -46.18 75.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.61 -43.07 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 tp -55.2 -49.49 71.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.213 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.02 -40.34 88.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.35 -39.85 92.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.37 -50.2 74.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.19 -40.23 95.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -175.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.53 -41.46 84.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.249 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -137.53 79.52 35.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -54.92 135.1 66.92 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.676 1.584 . . . . 0.0 111.124 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.9 p -165.62 157.01 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.69 -38.24 77.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.242 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.66 -51.51 69.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -65.46 -33.57 76.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.5 mt -63.32 -49.49 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.4 t -64.96 -43.1 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.14 -38.46 91.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.99 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.226 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.38 -46.4 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.99 -53.57 48.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.77 82.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -63.98 -46.15 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.07 -43.83 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.277 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.04 -40.69 96.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.89 -50.44 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -58.96 -43.84 91.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.58 86.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -67.8 -37.45 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.44 -46.5 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.79 -41.63 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.247 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -62.05 -43.56 98.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.94 -36.92 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.221 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.29 -40.8 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.228 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.65 -51.91 34.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.276 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.5 93.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.28 -45.76 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.9 -44.14 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.84 -40.75 96.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.19 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.45 -43.55 98.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.229 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -59.8 -43.33 94.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.176 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.74 95.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -65.15 -39.93 93.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.94 -41.66 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 45.8 t -57.59 -47.7 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.75 -36.14 81.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.27 -48.46 79.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.195 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.56 -40.39 91.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.172 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.99 -51.75 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 176.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.09 79.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.255 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.85 -46.77 90.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.96 -44.46 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.213 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.85 -37.07 85.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.8 95.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.247 175.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.33 -39.22 93.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.28 -42.37 98.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.213 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.27 82.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.06 -42.07 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.237 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.69 33.06 1.34 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.9 144.0 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.262 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . 0.409 ' OD2' ' NZ ' ' B' ' 77' ' ' LYS . 19.0 t0 -43.08 129.91 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 176.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.53 -28.66 70.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -173.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.409 ' NZ ' ' OD2' ' B' ' 75' ' ' ASP . 38.4 mtmm -61.89 -57.0 13.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.283 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.59 -30.94 51.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -58.62 -48.43 81.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -57.01 -47.94 79.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -56.25 -48.85 75.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.267 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.4 mtm -62.14 -43.41 98.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.01 -42.39 97.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -177.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.15 -41.52 81.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.82 -39.09 87.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.73 -47.18 79.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.19 -35.24 74.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.59 -38.59 87.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.01 -49.16 78.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.06 -48.89 75.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.191 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.77 -43.88 94.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 74.2 m -60.22 -39.64 87.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 177.768 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.88 -56.52 18.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.7 -37.13 84.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.74 -49.43 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.86 -44.23 86.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -56.13 -49.49 73.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -60.45 -36.71 78.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.564 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.5 tm? -63.07 -46.87 85.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.264 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.14 -36.98 85.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.61 -38.41 83.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.228 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 40.2 tp -60.26 -43.58 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 174.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.6 -46.32 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.181 174.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -55.17 -46.22 75.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.5 -43.12 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.2 -49.44 71.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.249 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.06 -40.37 89.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.3 -39.92 93.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.33 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 -175.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.54 -41.49 84.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.48 79.51 35.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -54.94 135.06 66.83 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.673 1.582 . . . . 0.0 111.176 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 94.4 p -165.54 157.08 14.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.8 -38.2 78.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.72 -51.49 69.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -65.49 -33.57 76.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.25 -49.51 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.93 -43.13 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.12 -38.51 91.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.2 -47.06 87.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.29 -46.46 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.96 -53.5 48.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.235 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.74 82.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.04 -46.1 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.14 -43.79 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.02 -40.72 96.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -58.98 -50.41 74.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 174.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -59.01 -43.74 91.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.6 86.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -67.79 -37.48 82.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.47 -46.36 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.216 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.91 -41.54 86.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.281 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -62.03 -43.6 98.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.193 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.87 80.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.27 -40.84 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.64 -51.96 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 172.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.46 93.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.189 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.35 -45.76 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.86 -44.15 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.82 -40.72 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.46 -43.66 98.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -59.68 -43.43 94.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.8 95.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -65.09 -39.92 93.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.231 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.99 -41.69 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.49 -47.73 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.244 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.68 -36.19 81.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.196 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.28 -48.45 79.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.234 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.56 -40.42 91.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.167 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.92 -51.83 68.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.13 80.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.217 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.5 mt -64.81 -46.79 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.91 -44.55 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.76 -37.04 85.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.83 95.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.213 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.31 -39.2 93.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.3 -42.37 98.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.19 82.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.03 -42.02 90.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.273 176.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.64 32.96 1.36 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.87 144.01 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.249 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . 0.415 ' OD2' ' NZ ' ' C' ' 77' ' ' LYS . 19.0 t0 -43.12 129.89 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.52 -28.57 70.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.204 -173.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' LYS . . . . . 0.415 ' NZ ' ' OD2' ' C' ' 75' ' ' ASP . 38.4 mtmm -61.98 -57.0 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.65 -30.84 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.59 -48.47 80.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -57.08 -47.94 79.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -56.21 -48.84 75.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 74.3 mtm -62.24 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -175.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.05 -42.35 97.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.19 -41.5 81.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.87 -39.04 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.72 -47.25 78.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.15 -35.3 75.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.211 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.41 -38.71 88.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.05 -49.13 78.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 171.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -56.0 -48.92 75.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.201 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.83 -43.84 94.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 74.1 m -60.14 -39.65 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.232 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 60.5 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 177.745 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 120.868 0.366 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.47 -50.74 64.51 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.21 -38.48 90.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.216 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.21 -43.46 94.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.231 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.41 -51.81 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -58.68 -45.67 88.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -63.62 -40.93 98.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.0 mt -61.56 -41.2 97.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.77 -40.49 95.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.12 -41.3 97.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.26 -41.97 94.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.28 -41.21 96.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.209 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.96 -39.15 93.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.5 mt -65.44 -42.49 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.262 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.7 mt -58.9 -41.43 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.24 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.51 -50.25 70.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.19 -40.23 93.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.79 -47.48 80.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.256 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -73.62 -43.95 58.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.48 -39.68 85.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.53 79.13 25.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.202 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -54.08 136.71 68.25 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.727 1.618 . . . . 0.0 111.224 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.6 p -164.06 157.18 17.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.09 -36.41 72.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -58.53 -54.62 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.26 -35.01 73.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.204 -174.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.42 -50.47 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.69 -45.65 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 -177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.5 -38.85 92.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.213 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.99 71.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.2 mt -62.64 -46.47 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -56.7 -47.15 80.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.32 92.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.61 -43.09 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.235 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.21 -41.99 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.254 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.93 -42.28 93.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -58.63 -49.34 77.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -56.77 -47.89 79.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.85 89.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.224 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -65.56 -40.35 92.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.406 ' O ' HG12 ' A' ' 48' ' ' ILE . 90.5 mt -64.28 -52.93 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.192 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.32 -40.72 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.24 -45.87 91.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -36.62 84.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 44' ' ' ILE . 25.9 mm -62.63 -39.51 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.231 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.78 -45.5 78.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.258 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.41 87.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.195 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.2 mm -61.79 -41.53 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.248 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.2 -44.62 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.33 -40.97 96.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -63.0 -39.1 93.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -63.77 -37.56 87.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.47 -38.93 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -67.3 -35.45 79.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.91 -40.19 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.07 -43.73 93.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 174.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -61.78 -37.4 84.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.66 -49.33 73.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.221 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -58.77 -41.14 85.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -59.54 -54.97 40.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.196 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.41 -37.31 80.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.2 mt -62.4 -47.75 91.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.97 -42.27 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.56 -39.57 91.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.72 97.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.38 -35.79 81.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -65.84 -40.67 91.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.4 95.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -176.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.0 pt -78.46 -20.74 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.12 46.96 1.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 168.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.9 t -60.52 144.39 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 111.17 169.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.77 134.63 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.49 -46.5 76.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.25 -175.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.11 -46.89 84.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.59 -42.56 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.03 -45.12 93.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.226 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.54 -40.31 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.11 -41.84 99.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.204 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.44 -40.32 85.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.02 -39.81 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.73 -50.52 73.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 173.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.31 -38.85 81.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.66 -50.77 72.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.85 -40.82 92.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.36 -46.62 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.83 -51.54 64.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.35 -42.96 74.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.247 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.58 -36.6 68.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.9 m -61.31 -31.37 71.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -178.37 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 CA--C 1.523 -0.059 0 CA-C-O 120.815 0.34 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.55 -50.61 65.93 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.24 -38.5 90.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 111.213 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.34 -43.35 94.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.58 -51.72 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -58.66 -45.69 88.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -63.68 -40.92 98.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.149 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.4 -41.31 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.258 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.71 -40.53 95.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.19 -41.12 97.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.256 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 42.7 mt -60.36 -41.99 94.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.32 -41.14 96.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.186 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.01 -39.17 93.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.35 -42.52 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.298 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.91 -41.39 87.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.216 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.62 -50.2 70.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.187 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.12 -40.2 94.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 63.2 tp -63.9 -47.47 80.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.261 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -73.56 -44.0 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -175.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.45 -39.77 85.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.52 79.21 25.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.09 136.71 68.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.755 1.637 . . . . 0.0 111.193 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 90.1 p -164.05 157.25 18.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.2 -36.38 73.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -58.57 -54.53 45.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.34 -34.96 73.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.48 -50.46 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.3 t -64.67 -45.68 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.44 -38.91 92.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.89 71.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.71 -46.5 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -56.63 -47.23 80.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.4 92.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.56 -43.06 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.25 -42.02 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.88 -42.33 93.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 176.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -58.57 -49.38 77.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -56.82 -47.85 79.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.81 89.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.24 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.48 -40.43 93.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.407 ' O ' HG12 ' B' ' 48' ' ' ILE . 90.3 mt -64.35 -52.86 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.226 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.33 -40.72 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -172.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.14 -45.97 91.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.62 84.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.239 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . 0.407 HG12 ' O ' ' B' ' 44' ' ' ILE . 26.0 mm -62.64 -39.47 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.86 -45.43 78.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.33 87.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.244 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 33.9 mm -61.92 -41.54 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.09 -44.72 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.37 -40.93 96.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.96 -39.02 93.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.238 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.93 -37.49 87.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.87 88.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.243 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -67.26 -35.51 79.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.91 -40.2 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.204 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.96 -43.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 174.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -61.87 -37.36 84.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.69 -49.36 73.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -58.73 -41.15 85.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -59.52 -54.99 40.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.44 80.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.238 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 72.6 mt -62.32 -47.86 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.244 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.86 -42.24 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.65 -39.5 91.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.63 98.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.44 -35.78 81.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -65.78 -40.71 92.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.27 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.35 95.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.177 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 pt -78.48 -20.69 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.09 47.02 1.94 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 168.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 38.8 t -60.54 144.39 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.782 0.325 . . . . 0.0 111.191 169.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.77 134.62 0.7 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.42 -46.52 76.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.233 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.2 -46.8 85.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 -176.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.66 -42.57 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.99 -45.15 93.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.54 -40.34 94.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.12 -41.77 99.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.47 -40.32 85.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.06 -39.72 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.252 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.77 -50.45 73.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.258 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -59.34 -38.87 81.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.64 -50.79 72.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 176.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.78 -40.78 92.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.242 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.41 -46.58 86.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.88 -51.53 64.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.4 -42.86 74.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.57 -36.68 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 66.5 m -61.28 -31.34 71.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.205 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.261 -178.463 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 120.839 0.352 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.48 -50.69 65.0 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.25 -38.42 90.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 111.257 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.38 -43.41 94.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.39 -51.85 65.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -58.58 -45.75 88.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -63.58 -40.93 98.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.271 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.52 -41.24 97.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.195 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.8 -40.43 95.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.19 -41.25 97.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.29 -41.98 94.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.23 -41.2 96.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.221 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.02 -39.1 92.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.191 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.46 -42.55 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 mt -58.85 -41.42 86.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.247 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.51 -50.33 70.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.09 -40.25 94.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.85 -47.48 80.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -174.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -73.55 -44.03 58.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -175.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.47 -39.73 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.53 79.18 25.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.12 136.68 68.44 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.73 1.62 . . . . 0.0 111.251 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -164.1 157.18 17.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.09 -36.45 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -58.53 -54.55 45.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.36 -34.92 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.196 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.5 -50.36 78.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.77 -45.65 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.43 -38.91 92.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.235 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -50.89 71.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 89.2 mt -62.73 -46.38 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.288 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -56.7 -47.22 80.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.31 92.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.227 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.6 -42.96 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.298 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -61.34 -42.01 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.96 -42.25 93.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 176.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -58.62 -49.32 77.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.237 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -56.74 -47.95 78.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.8 89.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.264 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.52 -40.4 92.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . 0.4 ' O ' HG12 ' C' ' 48' ' ' ILE . 90.0 mt -64.38 -52.84 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.45 -40.7 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -172.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.13 -45.93 91.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.08 -36.46 84.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.27 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . 0.4 HG12 ' O ' ' C' ' 44' ' ' ILE . 25.9 mm -62.8 -39.4 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.79 -45.55 78.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.272 171.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.38 87.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.236 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 mm -61.91 -41.48 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 62.2 t -61.11 -44.72 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.44 -40.85 95.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.95 -39.11 93.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.86 -37.51 87.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.93 88.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.24 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -67.22 -35.51 79.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.92 -40.19 87.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.94 -43.81 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -61.75 -37.47 84.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.66 -49.32 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.24 173.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -58.6 -41.29 85.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -59.47 -55.06 39.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.4 80.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.223 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.36 -47.82 91.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.83 -42.29 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.182 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.62 -39.52 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.224 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.78 97.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.217 173.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.3 -35.75 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -65.9 -40.72 91.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.39 94.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 pt -78.47 -20.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.09 46.84 1.97 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 169.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 38.9 t -60.41 144.37 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.219 169.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.81 134.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.52 -46.52 77.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.216 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.09 -46.9 84.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -176.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.54 -42.57 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.04 -45.16 93.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.47 -40.39 94.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.08 -41.72 99.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.266 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.52 -40.31 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.04 -39.78 93.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.64 -50.62 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 173.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.23 -38.89 81.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.64 -50.81 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.76 -40.82 92.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -58.36 -46.6 85.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.97 -51.45 64.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.145 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.41 -42.98 74.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.44 -36.69 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.241 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 66.5 m -61.23 -31.41 71.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.181 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 -178.374 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.2 tp . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.812 0.339 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.81 -54.08 40.24 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.79 -32.22 71.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.16 -47.6 79.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.43 -42.43 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -54.02 -46.47 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 174.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -59.41 -39.36 83.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.268 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.32 -41.59 84.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.211 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.88 -37.87 89.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -64.14 -39.99 95.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.61 -39.57 94.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.14 -52.59 64.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -56.48 -48.93 76.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.76 -44.27 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.214 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.75 -46.62 84.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.202 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.35 -39.43 87.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.255 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.62 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.283 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.18 -38.8 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.21 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.69 -37.66 87.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.21 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -80.57 -35.03 34.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.19 94.96 2.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -176.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -81.27 61.45 8.13 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.686 1.591 . . . . 0.0 111.212 -173.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -74.45 155.64 37.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.16 -38.44 79.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.212 175.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.85 -50.3 72.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -64.75 -35.84 82.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.196 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.99 -45.75 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.03 -41.68 90.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.171 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.91 -38.28 87.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.84 82.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.9 mt -60.19 -46.53 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.25 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -49.98 -54.74 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.64 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -177.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.0 mt -64.61 -44.34 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.4 -43.17 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.97 -38.67 92.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 176.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.23 -50.3 73.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.02 -35.78 77.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.17 89.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -66.05 -35.02 79.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.22 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.85 -47.83 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.67 -46.12 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.182 -177.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.42 -37.94 86.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.41 95.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mm -62.61 -42.83 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.19 -48.13 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.226 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.02 83.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.71 -43.13 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.23 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.59 -45.0 97.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.31 -42.11 98.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 177.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.69 -46.41 89.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.225 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.49 -42.42 87.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.37 96.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.58 -37.85 87.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.73 -42.76 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.99 -47.51 91.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.08 -37.46 87.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.295 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -63.36 -49.58 73.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.266 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.07 -39.33 85.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.216 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -55.64 -53.42 56.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.48 85.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.207 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.31 -47.21 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.25 -43.34 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.272 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.46 -40.66 92.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.92 -44.93 96.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.61 -35.09 79.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.185 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.78 -44.46 85.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.47 -34.68 71.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 -175.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.6 pt -88.95 -3.42 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 -175.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.87 47.18 4.87 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 170.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.6 t -72.76 143.72 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.207 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -40.46 129.21 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.43 -38.54 66.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -57.95 -48.11 80.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 -176.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.57 -41.63 92.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.18 -43.06 92.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.63 -43.24 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.96 -44.9 91.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.14 -41.26 94.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.36 -34.82 78.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.26 -45.11 93.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.209 173.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.51 -37.09 85.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.204 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.77 -49.14 73.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.212 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.36 -42.58 98.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.217 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.84 -36.85 82.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.41 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.201 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.97 -32.81 71.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.265 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -56.32 -31.32 63.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.2 p -63.38 -22.1 66.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.241 -175.26 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 26.1 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.841 0.353 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.89 -54.02 40.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.79 -32.22 71.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.739 0.304 . . . . 0.0 111.154 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.18 -47.59 79.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.4 -42.54 99.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -53.89 -46.5 71.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -59.41 -39.43 83.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.233 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.26 -41.52 84.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.289 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.94 -37.8 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.296 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.18 -39.99 95.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 173.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.62 -39.54 94.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 177.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -58.17 -52.61 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -56.43 -48.95 75.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.8 -44.27 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.74 -46.57 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.41 -39.37 87.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.264 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.59 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.261 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.1 -38.84 90.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.208 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.64 -37.74 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -80.5 -35.09 35.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.2 95.02 2.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -81.26 61.36 8.11 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.699 1.599 . . . . 0.0 111.226 -173.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 97.7 p -74.39 155.64 37.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.16 -38.44 79.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 175.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.79 -50.37 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -64.67 -35.87 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.0 -45.84 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -66.03 -41.59 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.216 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.98 -38.17 87.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.198 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.33 -47.85 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 173.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.21 -46.48 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.306 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -50.03 -54.71 18.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.219 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.61 83.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 75.0 mt -64.63 -44.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.36 -43.24 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.87 -38.72 91.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.266 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.2 -50.28 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 171.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.02 -35.84 77.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.22 89.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -65.94 -35.09 79.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.219 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.82 -47.85 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.7 t -55.67 -46.22 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.29 -37.99 86.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.36 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.0 mm -62.64 -42.76 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.12 -48.2 71.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.242 172.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.96 83.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.195 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.78 -43.1 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.203 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.56 -44.98 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.197 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.4 -42.08 98.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.75 -46.32 89.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -58.61 -42.33 87.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.21 96.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.208 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.71 -37.85 87.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.64 -42.86 95.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.05 -47.46 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 177.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.03 -37.45 87.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.288 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -63.46 -49.58 73.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.184 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.05 -39.36 85.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.235 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -55.61 -53.43 56.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.284 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.51 85.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.38 -47.19 94.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.17 -43.4 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.223 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.59 -40.59 92.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.98 -44.94 96.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.53 -35.1 79.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.77 -44.51 85.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 174.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -34.71 71.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 41.4 pt -88.9 -3.44 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.89 47.24 4.84 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 170.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 36.8 t -72.74 143.69 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.778 0.323 . . . . 0.0 111.237 170.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . 0.402 ' OD2' ' NZ ' ' B' ' 77' ' ' LYS . 20.7 t0 -40.48 129.2 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.33 -38.62 66.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . 0.402 ' NZ ' ' OD2' ' B' ' 75' ' ' ASP . 38.2 mtmm -57.91 -48.17 80.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -176.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.64 -41.68 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.13 -43.04 91.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.175 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.56 -43.29 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.94 -44.93 91.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.14 -41.31 94.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.29 -34.81 78.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.34 -45.1 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.229 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.43 -37.14 86.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.183 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.7 tp -55.73 -49.15 73.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.4 -42.57 98.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.176 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.79 -36.89 82.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.45 -43.28 99.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.98 -32.79 71.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.22 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -56.44 -31.3 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 82.2 p -63.39 -21.99 66.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.209 -175.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.257 -175.237 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 26.5 tp . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.857 0.36 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.82 -54.08 40.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.71 -32.26 71.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.856 0.36 . . . . 0.0 111.181 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.16 -47.69 78.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.34 -42.52 99.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.206 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -53.83 -46.56 71.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -59.43 -39.37 83.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.241 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.28 -41.6 84.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.92 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.08 -40.02 95.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.63 -39.59 94.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.188 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.06 -52.66 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.213 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -56.49 -48.94 76.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.74 -44.37 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.63 -46.68 83.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.187 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.38 -39.4 87.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.52 -38.22 90.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.16 -38.77 90.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.73 -37.71 87.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.113 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -80.47 -35.15 35.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.12 95.02 2.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.199 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -81.25 61.34 8.11 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.697 1.598 . . . . 0.0 111.221 -173.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -74.39 155.59 37.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 -177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.09 -38.48 79.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.204 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.82 -50.35 72.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -64.77 -35.84 82.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.98 -45.75 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.163 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 72.5 t -66.06 -41.66 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.9 -38.21 87.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.73 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.286 173.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.23 -46.49 94.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.275 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -50.03 -54.7 18.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.209 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.6 83.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 75.3 mt -64.56 -44.42 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.34 -43.24 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.92 -38.69 92.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.268 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.21 -50.31 73.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 171.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.99 -35.82 77.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.16 89.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.235 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -66.11 -34.92 79.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.86 -47.9 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.66 -46.13 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.185 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.32 -38.06 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.38 95.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.236 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mm -62.61 -42.75 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.16 -48.25 71.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 172.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.04 83.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.69 -43.25 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.5 -45.04 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.31 -42.08 98.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.75 -46.4 89.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.203 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -58.45 -42.44 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.27 96.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.254 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.72 -37.79 87.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.69 -42.77 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.05 -47.44 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.12 -37.48 87.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -63.42 -49.56 73.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.225 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -60.07 -39.35 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -55.6 -53.47 56.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.55 85.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.202 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.32 -47.15 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.2 -43.39 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.267 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.51 -40.62 92.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.92 96.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 174.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.54 -35.15 79.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.223 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.79 -44.49 85.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.18 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.74 71.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.232 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 41.4 pt -88.88 -3.45 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.92 47.09 4.89 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 170.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -72.67 143.73 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 111.238 170.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -40.49 129.21 2.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.22 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.34 -38.61 66.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.222 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -57.91 -48.19 80.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.53 -41.67 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.11 -43.09 91.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.58 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.87 -44.94 91.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.13 -41.32 94.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.3 -34.77 78.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.43 -44.99 92.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.53 -37.15 85.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.63 -49.21 73.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.235 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.34 -42.61 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.2 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -61.8 -36.87 82.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.36 -43.45 98.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.85 -32.86 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.279 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -56.39 -31.23 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 82.3 p -63.48 -21.96 66.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.158 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.268 -175.271 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.821 0.343 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.63 -52.15 54.69 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 173.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.1 -41.19 87.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.741 0.305 . . . . 0.0 111.216 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.24 -45.25 94.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.2 -40.01 86.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.198 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -58.46 -48.16 81.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.3 m -57.91 -40.99 81.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.297 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.06 -39.3 94.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -67.35 -41.83 84.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.85 -38.9 83.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.239 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.4 tp -63.23 -40.75 98.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.213 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.44 -48.65 78.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.204 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.82 -39.03 80.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.12 -46.91 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.5 tp -56.46 -45.9 80.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.35 -42.06 90.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.52 -40.93 96.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.238 174.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.63 -50.06 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.42 -41.54 96.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.77 -41.87 74.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.84 80.64 30.2 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -54.01 135.53 64.07 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.72 1.613 . . . . 0.0 111.212 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.3 p -164.76 155.92 14.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.62 -36.93 74.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.32 -52.18 66.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.28 -31.42 68.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -174.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.73 -49.51 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.201 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.07 -43.41 97.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.202 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.68 -38.84 92.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.236 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.9 88.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.226 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 38' ' ' VAL . 86.1 mt -63.02 -47.45 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.08 -52.46 51.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.29 83.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.8 mt -65.14 -44.93 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 34' ' ' ILE . 64.4 t -58.97 -46.15 91.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.235 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.48 -40.72 97.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.89 -41.68 91.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.197 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -55.9 -43.35 77.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.66 89.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.67 -39.98 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.213 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.02 -45.94 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.68 -40.71 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -59.12 -40.52 85.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.275 175.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.28 99.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.231 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.8 mm -58.44 -45.76 89.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.4 -53.56 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.09 -39.37 78.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.03 -48.2 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.39 -44.52 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.265 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.16 -39.65 94.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -61.58 -43.02 99.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.219 176.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.12 -38.37 82.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.06 93.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.09 -37.31 87.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.274 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.25 -43.21 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.69 -46.67 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -66.43 -37.22 84.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.47 -46.47 89.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 172.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.19 -37.29 79.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -58.1 -47.4 83.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 174.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.4 85.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.258 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.17 -45.39 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.23 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.26 -43.44 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.27 -39.58 93.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.93 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -69.71 -43.99 71.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -60.42 -38.34 83.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.73 -25.47 64.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.6 pt -112.07 23.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -173.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.94 22.17 55.83 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 159.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.7 t -64.17 143.92 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.3 . . . . 0.0 111.181 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -43.62 129.58 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.297 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.23 -45.21 94.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.234 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.31 -46.53 88.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.221 -173.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 90.1 mt -59.93 -43.52 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.57 -43.33 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.53 -41.56 97.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.191 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.11 -39.39 94.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.41 -38.75 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.247 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.95 -40.25 97.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.231 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.36 -38.76 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.02 -38.22 87.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.4 mt -69.92 -35.59 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.42 -40.52 97.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -62.28 -42.71 99.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.83 -42.57 99.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -58.99 -46.23 88.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.32 -37.51 83.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.2 t -64.25 -42.12 96.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.241 -175.546 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 120.837 0.351 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.51 -52.27 53.87 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 173.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.14 -41.13 87.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.34 . . . . 0.0 111.184 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 68.4 mt -62.21 -45.32 93.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.188 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.21 -40.03 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -58.49 -48.11 81.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 62.3 m -57.95 -41.01 81.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.03 -39.3 94.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -67.41 -41.82 84.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.9 -38.87 83.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.248 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 tp -63.15 -40.78 98.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.242 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.49 -48.55 78.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.81 -39.1 80.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.2 -46.89 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -56.46 -45.83 80.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.23 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.43 -42.02 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.63 -40.83 96.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 174.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.68 -49.99 75.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.226 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.49 -41.6 96.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -175.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.52 -42.09 75.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.69 80.56 31.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -54.02 135.51 64.07 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.745 1.63 . . . . 0.0 111.168 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -164.69 156.01 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.7 -36.94 75.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 178.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.23 -52.14 66.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.179 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.39 -31.3 68.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.217 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.85 -49.47 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.06 -43.41 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.7 -38.85 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.42 -46.84 88.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.237 175.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.99 -47.47 92.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.07 -52.36 51.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -38.21 84.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.08 -44.92 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 64.7 t -59.02 -46.16 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.42 -40.81 98.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.182 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.92 -41.6 91.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -55.92 -43.43 77.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.64 89.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.237 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.61 -40.07 94.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.96 -45.96 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.236 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.74 -40.65 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -59.14 -40.54 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.22 99.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 175.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.49 -45.75 89.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.45 -53.47 57.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.19 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.282 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.13 -48.14 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.54 -44.4 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -64.05 -39.72 94.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.68 -42.93 99.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.213 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -60.18 -38.36 82.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.04 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.09 -37.37 87.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.26 -43.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.86 -46.52 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.253 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -66.47 -37.27 84.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.207 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -60.35 -46.47 89.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.24 -37.27 79.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.238 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -58.13 -47.3 83.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.41 85.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.205 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.25 -45.37 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.19 -43.44 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.246 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.25 -39.69 93.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.02 83.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 80.4 mt -69.64 -43.92 71.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.226 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -60.51 -38.36 84.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.65 -25.52 64.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 45.6 pt -112.05 23.46 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.91 22.14 55.96 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 159.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 37.9 t -64.12 143.9 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.735 0.302 . . . . 0.0 111.214 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -43.61 129.52 5.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.277 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.23 -45.25 93.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -176.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.37 -46.44 88.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.04 -43.48 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 65.7 mt -61.51 -43.25 99.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.75 -41.26 97.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.36 -39.31 94.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.36 -38.81 85.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.99 -40.24 97.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.226 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.32 -38.75 90.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.1 -38.21 88.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.193 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.83 -35.64 74.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.3 -40.59 97.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.305 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.43 -42.55 99.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.217 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.88 -42.56 99.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -59.0 -46.17 88.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.227 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -61.41 -37.46 83.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.22 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.1 t -64.22 -42.2 96.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.207 -175.51 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.866 0.365 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.58 -52.11 54.89 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.11 -41.29 87.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.1 -45.29 94.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.25 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.2 -39.99 86.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -58.43 -48.19 81.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 61.9 m -57.94 -40.99 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.265 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.04 -39.28 94.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.47 -41.78 84.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.82 -38.92 83.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 174.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 37.3 tp -63.26 -40.68 98.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.238 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.46 -48.62 78.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.93 -38.95 80.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.22 -46.87 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.216 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 tp -56.41 -45.88 80.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.233 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.34 -42.15 90.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.62 -40.76 96.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.267 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.68 -50.01 75.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.48 -41.6 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.62 -42.01 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.72 80.6 31.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -53.98 135.52 63.89 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.739 1.626 . . . . 0.0 111.164 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -164.8 155.94 14.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.69 -36.86 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.31 -52.12 66.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.156 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -70.4 -31.25 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -174.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.84 -49.5 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.07 -43.41 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.72 -38.82 92.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.185 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.89 88.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.403 ' O ' HG23 ' C' ' 38' ' ' VAL . 85.8 mt -63.0 -47.4 92.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.17 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.19 -52.42 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.27 83.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 76.0 mt -65.1 -44.97 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . 0.403 HG23 ' O ' ' C' ' 34' ' ' ILE . 65.0 t -58.93 -46.2 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.248 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.49 -40.71 97.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.97 -41.61 90.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.223 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -55.96 -43.32 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.72 89.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.61 -39.96 94.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -69.09 -45.96 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.66 -40.74 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -59.14 -40.49 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.246 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.23 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.46 -45.73 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.44 -53.48 57.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.25 -39.22 78.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.16 -48.06 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.57 -44.48 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.23 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -63.96 -39.79 94.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.61 -43.02 99.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.09 -38.38 82.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.92 94.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.1 -37.36 87.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.296 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.26 -43.17 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.72 -46.64 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -66.44 -37.21 84.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.43 -46.5 89.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 172.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.24 -37.25 79.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -58.13 -47.26 83.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.42 85.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.25 -45.32 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.246 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.28 -43.46 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.13 -39.77 93.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.63 -37.95 83.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.128 175.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.63 -44.04 71.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -60.47 -38.31 83.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.62 -25.49 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 45.5 pt -112.14 23.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 -173.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.97 22.01 56.12 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 159.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 37.8 t -64.1 143.92 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 111.205 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -43.6 129.57 5.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.25 -45.28 93.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.29 -46.5 88.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.212 -172.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.94 -43.54 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.218 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.53 -43.22 99.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.69 -41.45 97.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.16 -39.45 94.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 77.2 mtm -67.36 -38.75 85.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.271 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.91 -40.32 97.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.27 -38.84 90.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -62.0 -38.27 87.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.86 -35.57 74.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.267 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.3 -40.64 97.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.281 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.37 -42.57 99.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.22 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 54.0 mt -62.91 -42.57 99.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -59.11 -46.1 89.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.39 -37.47 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.222 178.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 34.0 t -64.27 -42.08 96.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 78.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 -175.525 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.791 0.329 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.09 -30.56 5.97 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -75.92 -40.05 54.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 111.222 -175.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.59 -38.06 89.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.224 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.19 -46.9 75.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -55.79 -51.16 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.225 173.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.2 m -61.99 -39.76 93.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.566 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.4 tm? -66.13 -47.65 73.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.244 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.34 -36.91 85.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.0 -37.79 78.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 174.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.08 -43.86 95.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.202 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.89 -46.18 82.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.17 174.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -55.26 -46.02 76.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.79 -43.79 97.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 tp -55.53 -49.44 72.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.188 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.38 -40.79 92.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.198 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.6 -39.22 91.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.09 -49.96 75.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.282 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.55 -40.62 97.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.254 -175.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.29 -41.35 81.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.43 80.01 34.36 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.272 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.62 134.56 62.86 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.62 1.547 . . . . 0.0 111.226 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -164.95 156.26 14.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.237 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.04 -38.61 79.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.02 -51.25 70.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -65.43 -34.34 78.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.47 -48.83 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 177.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.01 -43.83 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.245 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.99 -37.86 89.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.225 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.53 -47.07 87.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 174.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.36 -46.63 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.207 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.29 -53.45 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.172 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.82 83.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.89 -46.38 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.06 -45.58 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.05 -41.5 98.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.44 -50.52 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 174.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.66 -39.99 90.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.58 -42.37 82.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.01 -36.59 80.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.78 -48.21 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.79 -41.31 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.253 -176.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.81 -39.28 93.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 175.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.05 93.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.91 -44.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -64.92 -46.65 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.33 98.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 93.5 mt -67.63 -51.84 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.47 -43.3 94.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.249 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.89 -41.78 99.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -61.83 -41.95 98.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.261 175.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.65 -39.41 93.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.165 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.58 90.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.287 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -66.01 -37.26 85.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.206 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.7 mt -61.55 -42.5 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.03 -45.38 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.2 -39.06 93.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.224 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -57.92 -45.33 86.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.27 -36.03 76.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.265 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -59.72 -45.74 91.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.227 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.92 77.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.189 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.59 -41.95 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.5 -43.58 91.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.11 -39.93 87.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.158 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.67 98.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.225 174.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.3 -40.49 96.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -64.98 -37.27 87.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -36.77 76.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.224 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.0 mm -74.06 -40.14 51.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.184 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.82 41.35 0.85 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.24 140.2 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.724 0.297 . . . . 0.0 111.169 169.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -41.55 127.31 3.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.69 -34.88 73.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.238 -174.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.26 -47.99 80.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.65 -43.64 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.41 -45.39 80.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -64.9 -37.0 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.71 -45.75 85.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 175.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.51 -36.62 83.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.5 -40.87 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.15 -44.67 87.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -56.13 -43.47 78.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -73.17 -39.27 65.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.186 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.07 -46.4 82.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.15 -41.42 99.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.198 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.64 -44.02 87.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -58.24 -43.55 87.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.266 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.15 -46.33 87.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 t -59.69 -40.18 87.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.256 -174.585 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.821 0.343 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.12 -30.47 5.99 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -75.92 -40.14 54.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -175.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.59 -38.05 89.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.14 -46.99 75.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.226 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -55.79 -51.13 68.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -62.06 -39.74 93.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.182 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.564 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.4 tm? -66.11 -47.68 73.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.265 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.33 -36.93 85.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.08 -37.76 78.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.1 -43.87 95.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.87 -46.16 82.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.188 174.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -55.22 -46.09 75.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.74 -43.77 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.0 tp -55.55 -49.37 72.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.42 -40.81 92.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.58 -39.25 91.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.03 -50.05 74.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.61 -40.52 97.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.259 -175.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.26 -41.54 80.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.29 80.05 34.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.236 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -54.66 134.55 62.92 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.704 1.602 . . . . 0.0 111.22 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -164.99 156.24 14.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.251 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.07 -38.57 79.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.98 -51.26 70.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -65.4 -34.41 78.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.5 -48.87 85.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.02 -43.79 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.09 -37.84 88.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.08 87.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.266 174.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.37 -46.68 96.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.23 -53.47 43.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.178 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.83 83.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.88 -46.36 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.7 t -62.03 -45.67 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.223 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -61.96 -41.54 98.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.46 -50.55 73.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.261 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.62 -39.95 90.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.46 82.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.231 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.0 -36.49 80.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.84 -48.22 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.8 -41.35 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.78 -39.23 93.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.06 93.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.98 -44.55 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.99 -46.63 80.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.23 98.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.183 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.9 mt -67.71 -51.77 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -176.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.45 -43.35 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 -176.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.95 -41.71 99.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.94 -41.96 98.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.56 -39.46 93.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.57 90.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.275 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.94 -37.39 85.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 82.9 mt -61.47 -42.53 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.224 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.95 -45.43 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.25 -39.01 93.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -57.89 -45.33 86.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.38 -36.03 77.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -59.67 -45.78 91.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.94 77.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.206 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.64 -41.87 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.51 -43.53 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.18 -39.84 87.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.71 98.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.28 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.25 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -64.97 -37.21 86.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.72 -36.67 77.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.171 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 40.1 mm -74.13 -40.09 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.81 41.27 0.86 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.17 140.17 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.178 169.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -41.5 127.3 3.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.143 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.7 -34.88 73.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.26 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.25 -47.97 80.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.72 -43.56 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.257 177.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.37 -45.49 79.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -175.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.78 -37.1 86.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.65 -45.74 85.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.46 -36.69 83.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.33 -40.99 88.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.178 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.08 -44.82 87.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -56.11 -43.36 78.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -73.28 -39.28 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.0 -46.48 82.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.06 -41.44 99.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.23 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.71 -44.0 87.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -58.14 -43.73 87.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.07 -46.29 88.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.254 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 43.4 t -59.73 -40.23 87.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.258 -174.545 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.801 0.334 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.14 -30.45 6.0 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.01 -40.06 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.746 0.308 . . . . 0.0 111.113 -175.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.63 -38.0 89.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.236 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.21 -46.96 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.213 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -55.8 -51.16 68.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 174.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -62.06 -39.62 93.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.56 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.4 tm? -66.19 -47.65 73.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.238 -176.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -65.35 -36.88 85.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.09 -37.73 78.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.1 -43.88 95.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.86 -46.26 81.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 174.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.21 -46.02 75.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.235 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.7 -43.8 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 tp -55.56 -49.41 72.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.188 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.34 -40.85 92.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.6 -39.23 91.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 175.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.01 -50.03 75.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.62 -40.6 97.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.25 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.25 -41.39 81.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.39 80.02 34.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.265 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -54.6 134.57 62.79 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 121.643 1.562 . . . . 0.0 111.183 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.4 p -164.97 156.26 14.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.02 -38.64 79.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.257 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.98 -51.25 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.207 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.234 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.41 -48.9 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.07 -43.68 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.255 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.11 -37.82 88.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.07 87.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.41 -46.63 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.17 -53.6 41.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.75 -37.79 82.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.327 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.99 -46.29 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.06 -45.62 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.97 -41.55 98.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.42 -50.52 73.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.272 174.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.64 -40.01 90.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.176 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.47 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.221 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.01 -36.47 80.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.83 -48.17 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.85 -41.38 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -176.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.78 -39.26 93.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 175.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -39.09 93.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.91 -44.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.9 -46.65 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.32 98.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 93.4 mt -67.69 -51.7 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 -176.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.54 -43.24 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -41.67 99.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.245 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.94 -41.98 98.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.46 -39.5 93.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.56 90.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 176.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.94 -37.32 85.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.243 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.49 -42.52 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.05 -45.32 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.23 -39.07 93.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -57.9 -45.24 86.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.44 -36.04 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.137 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -59.61 -45.87 90.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.87 77.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 177.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.62 -41.91 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.49 -43.56 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.13 -39.88 87.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.31 -40.52 96.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -64.94 -37.31 87.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.81 76.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.235 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 39.8 mm -74.06 -40.08 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.79 41.26 0.86 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.2 140.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 169.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -41.56 127.31 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.78 -34.79 73.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.228 -174.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.27 -47.96 80.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.69 -43.64 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.255 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.36 -45.45 80.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -175.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.87 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.84 -45.57 86.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 175.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.54 -36.67 83.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.46 -40.9 88.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.01 -44.9 87.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -56.1 -43.43 78.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.14 -39.29 65.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.02 -46.52 82.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.07 -41.41 99.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.25 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.66 -44.04 87.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -58.12 -43.7 87.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.267 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.03 -46.49 87.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 43.2 t -59.59 -40.22 86.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 -174.524 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.574 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 t -154.29 146.21 23.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.928 0.394 . . . . 0.0 111.174 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -105.34 108.11 19.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.322 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.8 -36.57 83.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.159 -173.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.61 -53.42 46.22 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.23 -37.45 85.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.687 0.279 . . . . 0.0 111.141 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.69 -50.3 69.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.199 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.86 -45.12 95.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.194 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.9 -49.97 73.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.24 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -61.27 -32.67 72.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.2 tm? -62.09 -45.93 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.281 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.81 -36.76 84.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -67.3 -37.38 83.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.04 -43.55 95.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.35 -45.49 80.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.256 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.84 -43.81 77.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.2 -44.46 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.293 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.9 tp -55.05 -48.71 73.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.55 -40.66 88.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.24 -39.35 89.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 175.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.26 -49.95 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.1 -40.57 94.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.87 -38.91 92.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.97 83.73 8.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.247 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -55.59 135.63 70.23 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.75 1.633 . . . . 0.0 111.198 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -162.79 156.41 20.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.258 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.62 -38.36 77.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.19 -51.81 68.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.237 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.88 -33.84 76.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.5 -49.18 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.1 t -64.4 -43.57 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.2 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.04 -38.13 89.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.09 87.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.67 -46.57 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.73 -54.19 31.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.25 83.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.4 mt -64.15 -46.27 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.97 -43.99 99.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.24 -41.32 96.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.06 -42.59 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 174.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -58.2 -37.14 74.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.13 82.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -73.71 -34.87 65.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.293 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.425 HG23 HD11 ' C' ' 48' ' ' ILE . 63.4 mt -60.52 -46.93 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.239 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.69 -46.35 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -67.25 -38.02 84.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -174.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.0 -34.86 75.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.42 HD11 HG23 ' B' ' 44' ' ' ILE . 74.4 mt -65.2 -48.96 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 170.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -62.27 -51.19 68.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.227 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.58 -37.53 75.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.99 -44.67 95.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.178 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.47 -43.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.84 -40.64 98.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.72 -39.63 93.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -61.21 -39.55 90.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 177.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.62 -39.08 79.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.46 -40.55 89.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.95 -44.72 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.28 -41.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.27 -38.72 90.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.51 -40.43 96.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -61.8 -39.49 91.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.37 -41.1 96.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 175.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -37.21 85.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.3 mt -63.67 -41.73 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -55.81 -43.8 75.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.189 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.61 -46.84 87.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.232 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.36 81.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.41 -47.85 71.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.76 -33.62 74.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.02 -32.67 66.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.456 HD12 ' C ' ' A' ' 72' ' ' ILE . 2.8 pp -113.28 20.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -173.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.5 44.62 5.49 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 159.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.1 t -80.91 136.55 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.751 0.31 . . . . 0.0 111.2 166.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.58 124.49 16.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.6 -24.29 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.244 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.41 -32.48 39.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.281 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 97.1 mt -86.81 -47.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.9 mt -67.68 -39.54 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -170.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.38 -35.18 78.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.26 -172.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -68.09 -37.85 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.3 mtm -67.27 -37.43 83.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.91 -40.83 85.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.47 -44.86 95.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.21 -43.12 74.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.27 -37.52 85.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.29 -51.82 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -69.07 -38.43 79.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.01 -50.13 75.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.26 -44.69 72.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -54.62 -39.87 68.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.4 p -76.66 -10.55 59.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 -174.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.8 mt -96.6 -35.15 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.227 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -75.59 151.94 37.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.201 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -133.19 154.77 50.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.052 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 177.261 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.553 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -154.25 146.28 23.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 111.154 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -105.39 108.14 19.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.253 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.83 -36.47 83.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 -173.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.74 -53.42 46.31 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.12 -37.48 85.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.188 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 36.5 tp -63.72 -50.23 69.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.97 -45.04 95.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -56.9 -50.05 73.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.3 m -61.22 -32.62 72.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.221 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.489 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.2 tm? -62.14 -45.92 91.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.82 -36.78 84.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.222 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -67.23 -37.39 83.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.302 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.01 -43.65 95.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -56.36 -45.42 80.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.244 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.87 -43.79 77.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.3 -44.37 99.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.294 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.07 -48.76 73.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.59 -40.52 87.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.226 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.36 -39.31 89.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 175.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.24 -49.98 75.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.01 -40.65 95.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.268 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.83 -38.88 92.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.257 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.97 83.7 8.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.227 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -55.61 135.64 70.31 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.751 1.634 . . . . 0.0 111.22 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -162.83 156.39 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.238 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.55 -38.44 77.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.237 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -51.88 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.231 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.85 -33.92 76.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -176.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.45 -49.27 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.8 t -64.34 -43.56 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.214 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.99 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.08 87.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.69 -46.61 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.63 -54.34 28.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.12 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.266 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.27 -46.23 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.2 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.93 -44.07 99.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.12 -41.35 96.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.06 -42.7 99.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.192 174.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -58.01 -37.25 73.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.04 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -73.82 -34.9 64.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.42 HG23 HD11 ' A' ' 48' ' ' ILE . 63.3 mt -60.48 -46.96 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.7 -46.37 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.19 -38.09 84.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -174.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.94 76.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.428 HD11 HG23 ' C' ' 44' ' ' ILE . 74.1 mt -65.21 -48.85 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 170.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -62.36 -51.22 68.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.44 75.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 68.1 mt -59.94 -44.72 95.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 178.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.52 -43.54 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.85 -40.69 98.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.62 -39.65 94.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.229 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -61.18 -39.54 90.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.226 177.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.03 79.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.223 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.54 -40.38 89.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 176.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.01 -44.75 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.29 -41.2 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.29 -38.72 90.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.188 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.51 -40.46 96.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.35 -41.0 96.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.16 85.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.82 -41.64 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 176.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -55.88 -43.7 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.174 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.76 -46.81 88.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.31 81.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.37 -47.93 71.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.74 -33.59 74.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.59 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.251 -175.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . 0.454 ' C ' HD12 ' B' ' 72' ' ' ILE . 2.8 pp -113.38 20.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 -173.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.49 44.54 5.51 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 159.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.84 136.56 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 0.0 111.211 166.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.58 124.48 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.7 -24.15 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.55 -32.4 40.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 97.0 mt -86.88 -47.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.178 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.69 -39.58 84.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -170.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.41 -35.11 78.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.22 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -68.15 -37.84 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 50.4 mtm -67.24 -37.5 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -58.99 -40.75 85.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.52 -44.77 95.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.21 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.25 -43.11 74.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.24 -37.57 85.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -177.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.26 -51.86 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.186 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.0 -38.42 79.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 59.8 tp -59.08 -50.1 75.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.21 -44.78 71.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -54.59 -39.88 68.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -76.63 -10.66 59.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.211 -174.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 96.7 mt -96.45 -35.21 11.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.249 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -75.66 152.01 37.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -133.18 154.75 50.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.049 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 177.262 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 45.6 t -154.19 146.29 23.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 0.0 111.153 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -105.39 108.1 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.322 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.79 -36.52 83.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.201 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.66 -53.4 46.41 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.22 -37.45 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 111.191 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 36.6 tp -63.62 -50.28 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.212 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -61.91 -45.1 95.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.83 -50.03 73.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.226 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -61.27 -32.63 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.224 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.489 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.2 tm? -62.17 -45.85 91.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.262 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.89 -36.7 84.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.211 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -67.35 -37.37 83.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.05 -43.55 95.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -56.48 -45.37 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.264 174.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.88 -43.79 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.29 -44.44 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.257 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.99 -48.78 72.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.49 -40.64 87.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.31 -39.38 89.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.24 -49.97 75.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.11 -40.6 94.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.226 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.83 -38.85 92.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.279 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.99 83.7 8.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.217 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -55.61 135.58 70.02 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.758 1.638 . . . . 0.0 111.242 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.2 p -162.74 156.48 20.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.62 -38.39 77.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.307 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.11 -51.81 68.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.277 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.89 -33.9 76.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.39 -49.24 83.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.39 -43.59 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.97 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.02 88.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.65 -46.62 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.243 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.78 -54.16 31.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.48 -38.18 83.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.24 -46.17 94.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.02 -43.98 99.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.18 -41.33 96.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.08 -42.58 99.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.24 -37.14 74.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -177.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.22 82.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -73.7 -34.88 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.224 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . 0.428 HG23 HD11 ' B' ' 48' ' ' ILE . 62.8 mt -60.54 -46.94 94.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.6 -46.4 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.19 -38.07 84.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -174.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.91 76.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . 0.425 HD11 HG23 ' A' ' 44' ' ' ILE . 74.1 mt -65.22 -48.93 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 170.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 -62.33 -51.19 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.51 -37.64 76.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 -175.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.86 -44.72 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.54 -43.47 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.91 -40.64 98.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 176.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.71 -39.56 93.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.283 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -61.19 -39.55 90.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.249 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.06 79.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.273 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.61 -40.27 88.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.14 -44.65 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.34 -41.2 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.2 -38.71 90.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.61 -40.45 96.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -61.72 -39.57 91.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.242 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.3 -41.09 96.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.74 -37.15 85.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 79.1 mt -63.65 -41.76 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 32.9 mm -55.76 -43.81 75.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.246 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.66 -46.81 87.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.231 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.33 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.38 -47.93 71.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -61.68 -33.62 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.296 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.95 -32.74 66.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' ILE . . . . . 0.457 ' C ' HD12 ' C' ' 72' ' ' ILE . 2.8 pp -113.3 20.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -173.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.52 44.57 5.5 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 159.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 54.0 t -80.87 136.51 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.698 0.285 . . . . 0.0 111.258 166.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.55 124.46 16.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.181 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.61 -24.24 65.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.188 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.49 -32.49 40.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 97.0 mt -86.83 -47.51 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 84.6 mt -67.7 -39.57 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -170.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.39 -35.21 78.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.194 -172.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -68.06 -37.87 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 50.3 mtm -67.3 -37.43 83.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.98 -40.8 85.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.099 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.44 -44.88 95.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.157 176.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.21 -43.15 74.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.2 -37.58 85.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.18 -51.91 67.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.99 -38.37 79.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.11 -50.05 75.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.27 -44.73 72.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.216 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -54.65 -39.87 68.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -76.57 -10.6 59.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.61 -35.18 11.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -75.53 151.96 37.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -133.18 154.76 50.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.216 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.063 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.261 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.55 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -60.18 -42.55 95.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.322 . . . . 0.0 111.232 -175.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -81.48 -42.28 20.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.297 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.09 -37.6 85.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 -175.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.98 -62.08 6.48 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.83 -34.99 72.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.732 0.301 . . . . 0.0 111.175 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.05 -49.95 75.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.208 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.27 -44.29 95.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -55.93 -47.7 77.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 174.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t -57.2 -41.86 80.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.68 -32.76 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.1 -41.27 99.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.224 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -69.3 -36.7 77.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.211 174.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.2 -39.18 85.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 175.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.41 -48.02 77.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 173.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.89 -38.31 85.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.49 -44.96 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.207 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.2 tp -57.13 -45.43 83.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.51 -46.72 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.248 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -64.02 -39.56 94.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.24 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.3 tp -60.83 -47.59 85.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.84 -42.36 81.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.63 -42.49 74.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.215 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.08 79.91 30.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -54.16 136.09 66.7 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.746 1.631 . . . . 0.0 111.167 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -164.3 157.03 17.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.2 -36.41 73.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.82 -52.44 65.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -68.46 -34.18 75.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.27 -49.81 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.162 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.1 t -64.44 -44.25 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.77 -39.49 94.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.5 72.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.29 -45.01 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.37 -53.95 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.25 93.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.32 -42.99 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.1 t -59.29 -47.45 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.26 -39.26 93.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.234 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.38 -41.31 98.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.237 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -60.14 -40.25 89.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.91 95.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.84 -36.97 83.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.219 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.95 -52.22 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.247 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.6 -42.49 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 -174.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.54 -39.85 95.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.96 83.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 173.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -74.79 -41.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -174.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.31 -43.67 79.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.252 171.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.3 86.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.8 -44.24 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.16 -42.92 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.12 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.01 -38.33 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -61.79 -39.05 90.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.26 -39.16 89.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.34 -39.17 92.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 84.9 mt -62.42 -41.72 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.257 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.86 -50.34 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.64 -35.74 80.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.155 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.44 -50.2 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 171.03 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -57.77 -38.7 75.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.236 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.31 -53.46 57.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.88 82.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.68 -47.83 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.71 -42.18 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.9 -39.84 90.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.0 96.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.44 -37.47 80.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.249 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.43 -40.88 96.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 173.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.28 78.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -69.98 -25.93 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.236 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.44 53.79 1.05 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 167.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.95 167.35 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 111.17 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -52.4 127.83 23.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.82 -37.09 70.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -58.26 -52.0 67.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 -176.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.85 -40.88 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.4 tp -54.3 -47.62 72.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.59 -41.02 93.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.25 -44.59 96.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.0 mtm -61.99 -42.22 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.38 -39.3 92.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.2 -48.9 76.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.263 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -60.18 -35.99 76.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.58 -50.65 72.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.67 -44.22 86.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.95 -41.92 97.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.229 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.2 tp -65.79 -47.03 76.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -61.76 -42.89 99.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.61 -34.71 76.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.4 m -68.24 -16.07 63.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.253 -175.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.79 -27.32 68.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.34 -24.35 67.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.533 ' O ' ' C ' ' A' ' 96' ' ' GLY . 74.9 mtm180 -70.51 -25.1 62.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -176.043 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 95' ' ' ARG . . . . . . . . 0 C--O 1.201 -1.947 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -171.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.563 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -60.16 -42.58 95.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 111.239 -175.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -81.45 -42.31 20.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.05 -37.64 85.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.96 -62.15 6.4 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.7 -35.0 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.09 -49.98 75.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.23 -44.32 95.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -55.9 -47.74 76.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t -57.2 -41.82 80.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.71 -32.82 74.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.07 -41.23 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -69.36 -36.72 77.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 174.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.2 -39.12 85.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.48 -47.99 78.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 173.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.9 -38.29 85.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.5 -44.94 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.219 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.12 -45.46 83.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.61 -46.66 77.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.91 -39.63 94.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.275 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 tp -60.83 -47.54 85.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.249 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.93 -42.32 81.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.62 -42.49 74.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -138.07 79.89 30.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -54.18 136.09 66.84 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.668 1.579 . . . . 0.0 111.205 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 92.7 p -164.25 157.06 17.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.24 -36.37 73.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.9 -52.43 65.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -68.36 -34.24 75.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.25 -49.77 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.224 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.53 -44.2 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.77 -39.49 94.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.46 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 88.3 mt -62.29 -45.0 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.4 -53.97 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.247 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.33 93.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.28 -43.03 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.25 -47.46 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.34 -39.23 93.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.32 -41.34 98.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.266 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.12 -40.28 89.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.95 95.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.195 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.82 -36.94 83.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.07 -52.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 48.1 t -61.57 -42.53 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.56 -39.9 95.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.179 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.99 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 173.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -74.75 -41.28 47.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 -174.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.33 -43.72 79.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.203 171.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.36 85.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.203 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.7 -44.31 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.13 -42.92 95.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.229 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.15 -39.36 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.215 175.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.05 -38.34 90.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -61.78 -39.05 90.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.13 89.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.286 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.35 -39.16 91.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.5 -41.73 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.86 -50.35 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -66.57 -35.81 81.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.198 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.36 -50.2 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 171.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -57.74 -38.78 75.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.16 -53.48 56.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.81 82.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 71.9 mt -61.76 -47.83 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.68 -42.18 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.92 -39.82 90.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.98 96.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.255 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.42 -37.54 80.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.203 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -61.39 -40.86 95.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.25 78.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -70.01 -25.93 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.48 53.73 1.05 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 167.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 31.5 m -75.92 167.35 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 111.196 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . 0.402 ' OD2' ' NZ ' ' B' ' 77' ' ' LYS . 20.1 t0 -52.42 127.89 23.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.244 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.87 -37.06 70.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.217 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.402 ' NZ ' ' OD2' ' B' ' 75' ' ' ASP . 38.4 mtmm -58.21 -52.12 66.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -176.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.76 -40.92 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 64.5 tp -54.32 -47.59 72.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.61 -40.97 93.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.231 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.21 -44.62 96.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 177.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.06 -42.23 98.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.176 -178.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -62.28 -39.38 92.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.274 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.21 -48.87 76.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.231 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.17 -36.05 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.56 -50.64 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.67 -44.28 86.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.91 -41.9 97.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.82 -47.02 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.221 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -61.79 -42.87 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.6 -34.74 76.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 70.1 m -68.21 -16.09 63.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -175.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.8 -27.3 68.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.33 -24.36 67.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -175.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . 0.546 ' O ' ' C ' ' B' ' 96' ' ' GLY . 74.8 mtm180 -70.48 -25.16 63.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -176.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' B' ' 95' ' ' ARG . . . . . . . . 0 C--O 1.2 -1.978 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -171.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.534 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -60.2 -42.53 95.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 111.243 -175.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -81.52 -42.25 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.06 -37.63 85.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 -175.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.96 -62.13 6.42 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.73 -35.04 72.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 111.186 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.07 -49.96 75.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -60.24 -44.34 95.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -55.88 -47.73 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 46.7 t -57.12 -41.88 79.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 46.8 mt -64.72 -32.77 74.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.01 -41.38 99.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -69.24 -36.7 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.232 174.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.16 -39.22 85.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 175.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.41 -48.02 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.87 -38.3 85.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.48 -45.01 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.185 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.09 -45.49 83.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.54 -46.74 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.231 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -63.92 -39.64 94.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.255 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 tp -60.77 -47.54 85.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.267 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.91 -42.32 81.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -176.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.61 -42.54 74.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.196 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.1 79.89 30.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -54.17 136.15 66.97 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.69 1.593 . . . . 0.0 111.203 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -164.32 157.03 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.27 -36.37 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -60.86 -52.41 65.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -68.38 -34.24 75.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -175.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.25 -49.8 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.47 -44.25 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.76 -39.48 94.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.5 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.25 -45.05 99.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.221 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.45 -53.92 20.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.35 93.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.27 -42.98 97.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.27 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 68.3 t -59.29 -47.46 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.31 -39.22 93.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.39 -41.27 98.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.232 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.11 -40.26 89.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.95 95.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.222 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.79 -36.98 83.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.204 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.01 -52.21 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.241 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.47 -42.57 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 -174.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.54 -39.84 95.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.94 83.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 173.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 78.3 mt -74.8 -41.31 47.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -174.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.32 -43.67 79.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.27 -42.23 86.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.76 -44.32 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.08 -42.99 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.14 -39.35 94.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.199 175.364 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.13 -38.23 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -61.81 -39.07 90.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.232 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.18 89.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.253 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.27 -39.15 92.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.42 -41.81 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.232 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.75 -50.43 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.59 -35.76 80.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.169 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.4 -50.14 74.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.169 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -57.79 -38.74 76.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.21 -53.48 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.8 82.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 71.9 mt -61.73 -47.83 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.66 -42.2 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.92 -39.81 90.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.02 96.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.198 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.44 -37.49 80.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.183 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.47 -40.8 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 173.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.27 78.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -70.0 -25.88 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.4 53.75 1.05 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 167.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 31.2 m -75.92 167.33 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.212 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . 0.402 ' OD2' ' NZ ' ' C' ' 77' ' ' LYS . 20.2 t0 -52.39 127.87 23.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.56 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.87 -37.04 70.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' LYS . . . . . 0.402 ' NZ ' ' OD2' ' C' ' 75' ' ' ASP . 38.5 mtmm -58.32 -51.98 67.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -176.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.84 -40.89 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.199 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 64.5 tp -54.38 -47.56 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.66 -40.96 94.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.21 -44.59 97.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.05 -42.2 98.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.31 -39.33 92.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.304 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.19 -48.93 76.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.251 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.14 -36.03 76.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.52 -50.67 72.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.68 -44.21 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.98 -41.88 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.251 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.79 -47.1 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.188 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -61.75 -42.86 99.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.58 -34.79 76.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 70.6 m -68.2 -16.05 63.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.254 -175.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.84 -27.34 68.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.29 -24.32 67.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -175.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 95' ' ' ARG . . . . . 0.542 ' O ' ' C ' ' C' ' 96' ' ' GLY . 74.8 mtm180 -70.62 -25.03 62.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -175.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . 0.542 ' C ' ' O ' ' C' ' 95' ' ' ARG . . . . . . . . 0 C--O 1.2 -1.984 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -171.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -136.49 18.3 3.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.781 0.324 . . . . 0.0 111.218 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -77.03 162.01 27.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -174.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -52.48 -36.91 56.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.89 -33.75 84.67 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.83 -35.31 38.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 111.203 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.05 -40.68 96.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -64.94 -43.69 91.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -58.35 -47.72 82.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 174.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m -58.45 -40.88 83.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.243 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.87 -36.37 83.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -67.94 -42.6 80.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -70.11 -39.27 75.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.237 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.05 -44.74 96.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -57.95 -47.55 82.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 174.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.81 -45.53 70.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.22 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.39 -44.22 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.13 -48.03 74.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.169 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.08 -44.03 91.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.43 -38.51 91.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.195 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.93 -49.91 74.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.264 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.07 -41.22 95.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.32 -39.11 92.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.34 84.68 7.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.258 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -55.23 135.61 69.71 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.657 1.571 . . . . 0.0 111.228 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.9 p -162.96 156.9 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.26 -38.7 77.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.28 -51.62 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.66 -33.32 74.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.5 -49.14 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 177.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.61 -43.52 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.06 -39.71 95.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.257 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.63 -47.3 86.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 175.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.67 -47.07 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.3 -51.75 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.229 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.65 80.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.256 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.24 -45.58 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.95 -45.85 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.74 -42.01 97.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -59.67 -48.01 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.83 -41.05 85.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.05 93.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.3 -39.5 94.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.24 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.2 -47.44 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -70.59 -42.48 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -175.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.92 -36.59 83.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.35 -49.33 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.7 -22.98 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -173.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -46.34 -48.54 18.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.236 168.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.59 95.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.12 -47.01 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.265 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.55 -45.5 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.243 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.18 -39.94 96.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.223 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.5 -41.11 98.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -59.34 -41.74 89.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.41 90.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.03 -36.73 80.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.5 -42.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.24 -45.0 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.58 -38.86 92.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -58.93 -49.86 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.05 -37.73 77.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.22 -49.16 78.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.194 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.0 74.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.175 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.3 mt -65.51 -51.74 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.19 -25.19 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -173.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.41 -41.56 84.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 169.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.31 79.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.207 175.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.49 -43.74 96.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.246 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -58.57 -38.98 79.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.95 -27.4 65.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 pt -111.61 24.15 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -173.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 16.13 58.45 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 158.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.68 137.32 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.232 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -47.88 119.17 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -173.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -62.25 -32.8 73.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.195 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.21 -52.78 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.64 -42.06 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.209 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.45 -39.29 91.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.162 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -63.39 -36.99 85.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.26 -40.24 93.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 176.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 70.1 mtm -70.31 -36.72 74.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -56.48 -46.88 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.2 -49.99 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.21 176.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.34 -47.12 66.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.75 -40.87 92.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.221 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.45 -40.44 97.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.231 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.81 -40.49 97.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.298 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.94 -39.94 90.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.47 -40.76 79.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.8 -34.71 60.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.7 t -55.48 -42.13 73.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.28 -17.16 64.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.275 -175.214 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.93 -9.59 58.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -85.22 -14.78 45.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.229 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.97 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -175.255 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.582 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -136.59 18.34 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 111.181 -178.444 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -77.1 161.96 27.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -52.38 -37.0 55.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.8 -33.81 84.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.71 -35.42 39.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 111.238 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.01 -40.69 96.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.263 175.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -64.97 -43.71 91.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.222 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -58.23 -47.81 82.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.249 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 57.7 m -58.41 -40.98 83.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.3 mt -63.85 -36.28 83.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.96 -42.68 80.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -70.05 -39.29 75.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.274 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.03 -44.64 96.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.02 -47.47 82.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -53.95 -45.48 71.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.29 -44.28 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.175 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 62.8 tp -55.15 -47.98 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.185 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.14 -43.99 92.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.207 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.45 -38.51 91.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 176.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.87 -50.0 73.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.07 -41.18 95.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.3 -39.14 92.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.35 84.68 7.73 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.232 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -55.19 135.53 69.3 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.741 1.628 . . . . 0.0 111.195 -178.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.8 p -162.97 156.83 20.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.18 -38.72 77.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.221 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.2 -51.65 69.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.69 -33.3 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.222 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.48 -49.1 84.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.166 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 72.9 t -64.65 -43.5 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.254 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.12 -39.58 95.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.7 -47.27 86.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.249 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.68 -47.05 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.249 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.29 -51.83 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.71 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.26 -45.57 93.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.82 -45.91 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.8 -41.98 97.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.58 -48.06 83.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 177.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.78 -41.1 85.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.07 92.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.241 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.25 -39.58 94.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.255 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.2 -47.32 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.269 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 76.4 t -70.71 -42.45 77.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 -175.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.95 -36.6 83.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.26 -49.35 19.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.71 -22.94 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 -173.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -46.31 -48.58 18.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 168.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.6 95.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.14 -46.93 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.236 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.58 -45.56 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.13 -39.96 96.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -63.5 -41.14 98.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.207 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -59.32 -41.8 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.36 90.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.05 -36.81 80.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.48 -42.49 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.32 -44.92 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.68 -38.84 92.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.89 -49.84 76.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.197 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.11 -37.69 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.24 -49.18 78.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.09 -36.02 74.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.265 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 88.5 mt -65.45 -51.8 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.303 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 39.9 pt -72.11 -25.22 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.2 -173.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.43 -41.49 84.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 169.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.13 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.239 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.55 -43.69 96.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.24 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -58.53 -39.08 79.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.38 65.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 pt -111.63 24.14 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 16.16 58.41 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 158.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.75 137.29 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.172 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -47.82 119.16 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -173.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.38 -32.71 73.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -173.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.24 -52.81 63.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -174.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.71 -41.98 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.46 -39.28 91.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -63.46 -37.05 85.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.16 -40.28 93.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.236 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.1 mtm -70.23 -36.8 74.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.41 -46.9 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.17 -49.97 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.263 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.34 -47.14 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.75 -40.84 92.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.261 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.41 -40.57 97.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.73 -40.62 97.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.19 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 83.4 mt -65.87 -39.97 91.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.5 -40.68 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.91 -34.57 59.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.253 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 37.4 t -55.51 -42.18 74.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.23 -17.23 64.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 -175.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.82 -9.67 58.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -85.17 -14.78 45.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.242 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.987 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -175.2 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -136.55 18.31 3.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 111.224 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -77.08 162.01 27.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.219 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -52.48 -36.9 56.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.93 -33.69 84.59 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.86 -35.23 38.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 111.263 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.07 -40.72 96.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -64.83 -43.8 91.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -58.26 -47.78 82.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 174.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -58.41 -40.99 83.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.238 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.8 -36.34 83.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -67.91 -42.67 80.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.236 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -70.1 -39.29 75.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.01 -44.72 96.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.283 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -57.98 -47.43 83.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.186 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.89 -45.6 71.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.32 -44.2 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.15 -48.01 74.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.203 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.1 -43.97 91.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.44 -38.56 91.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.88 -49.96 74.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.02 -41.21 95.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -176.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.25 -39.2 92.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.34 84.7 7.73 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.255 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -55.21 135.59 69.61 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.677 1.585 . . . . 0.0 111.247 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.1 p -162.97 156.85 20.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.22 -38.66 77.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.202 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.23 -51.74 68.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.63 -33.29 74.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.44 -49.11 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.72 -43.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.191 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.17 -39.61 95.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -47.18 86.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.77 -47.02 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.3 -51.76 61.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.71 80.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.18 -45.61 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -58.92 -45.86 91.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.75 -42.11 97.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -59.41 -48.15 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -58.79 -41.04 85.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.03 93.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.27 -39.5 94.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.252 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.27 -47.4 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -70.62 -42.44 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -175.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.98 -36.56 83.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.32 -49.35 19.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.68 -23.09 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 -173.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -46.2 -48.64 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.221 168.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.65 95.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.18 -46.97 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.53 -45.54 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.11 -40.0 96.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.57 -41.13 98.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -59.28 -41.75 89.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.43 90.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -67.99 -36.78 80.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 83.8 mt -62.44 -42.5 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.3 -44.97 96.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.58 -38.86 92.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.91 -49.82 76.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.09 -37.7 77.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.32 -49.17 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.88 74.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.59 -51.74 59.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.231 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.16 -25.21 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.36 -41.59 84.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 169.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.22 78.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.244 175.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.6 -43.71 96.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -58.45 -39.11 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.213 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.95 -27.26 65.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 43.7 pt -111.69 24.19 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 -173.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.92 16.02 58.59 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 159.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.62 137.26 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -47.8 119.14 2.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 -173.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.3 -32.83 73.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.15 -52.8 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 -174.131 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.81 -41.96 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.44 -39.28 91.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -63.5 -36.97 85.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.24 -40.21 93.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.199 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 70.2 mtm -70.26 -36.79 74.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.241 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.35 -46.97 79.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.18 -49.96 73.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.236 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.36 -47.18 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.68 -40.86 92.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.243 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.43 -40.59 97.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.79 -40.48 97.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.248 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 83.3 mt -65.93 -39.95 90.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.47 -40.78 79.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.7 -34.77 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 38.1 t -55.46 -42.14 73.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.235 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.31 -17.14 64.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.272 -175.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.86 -9.7 58.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -85.16 -14.72 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.915 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -175.217 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -157.86 141.3 15.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.74 0.305 . . . . 0.0 111.263 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -70.07 144.54 52.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.249 -176.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.2 mt -57.94 -32.35 67.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.32 -28.66 69.69 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -74.05 -40.03 63.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 111.215 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.99 -42.28 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 175.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' A' ' 12' ' ' GLU . 64.8 tttm -59.52 -49.57 77.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.22 -48.24 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.282 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -59.14 -42.38 90.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.69 -40.43 94.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 98.4 mt-10 -62.79 -41.49 99.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.199 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.21 -37.68 75.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.48 -47.12 87.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.21 -37.02 82.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.248 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.24 -49.93 74.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.19 -41.96 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 tp -53.94 -51.14 64.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.51 -40.09 81.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -178.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.77 -41.03 97.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 176.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.3 -42.8 92.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.82 -35.53 76.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -80.17 -48.95 12.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.27 83.54 17.52 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.256 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -56.53 143.21 88.89 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.703 1.602 . . . . 0.0 111.185 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.4 p -160.47 150.0 17.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.279 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.72 -39.28 80.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -58.31 -52.97 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.242 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.9 -29.97 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.282 -174.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.03 -46.49 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.17 -40.86 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.227 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.26 -39.94 92.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.18 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.5 -44.14 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -49.95 -52.48 33.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.39 96.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.155 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.57 -46.7 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.183 -177.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.16 -46.93 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -69.93 -34.92 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.13 -47.39 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.04 -41.58 88.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.82 94.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.75 -42.44 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.07 -54.42 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.3 t -59.92 -46.9 93.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -172.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -66.35 -34.83 78.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.29 -55.03 13.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 pt -67.42 -24.96 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -171.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -57.54 -38.01 74.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.67 71.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.193 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.95 -43.8 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.176 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.21 -46.23 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.58 -42.26 98.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -71.39 -31.13 66.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.471 HD22 ' HA ' ' A' ' 55' ' ' ASN . 7.6 m120 -59.72 -52.17 66.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 174.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.84 -37.2 73.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.16 -52.55 26.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.25 -31.35 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.206 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.03 -48.05 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.255 175.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -60.02 -35.44 75.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.229 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -57.34 -29.32 63.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.222 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.82 -26.81 68.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.55 -47.73 83.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.11 88.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.16 -46.53 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.8 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.218 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.84 -40.23 94.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.96 97.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.276 175.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.3 mt -67.3 -36.33 81.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.266 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.84 -40.78 95.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.11 -46.99 84.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.241 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.5 tp -70.8 -25.98 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.271 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.04 55.59 1.12 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 166.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.2 m -80.19 169.12 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.191 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -54.77 125.55 20.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -176.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.81 -32.25 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.243 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.11 -23.26 65.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -175.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.6 mm -90.22 -39.14 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.25 -41.02 87.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.252 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.2 -40.58 90.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -71.08 -43.2 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.191 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.2 -38.7 92.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.174 -177.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.96 -39.07 93.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.39 -41.22 93.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.55 -38.9 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.41 -51.46 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.15 -39.15 93.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.25 -40.62 74.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.4 mt -59.68 -43.62 93.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.68 -41.24 96.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.49 -43.99 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.0 t -72.07 -55.35 7.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.59 -36.73 84.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -87.41 3.8 45.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -173.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -104.42 -48.11 3.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.254 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.033 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.293 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -157.84 141.29 15.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.718 0.294 . . . . 0.0 111.261 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -70.1 144.52 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.198 -176.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.2 mt -57.95 -32.35 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.16 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.37 -28.58 69.62 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -74.1 -40.09 62.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.99 -42.23 97.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.411 ' NZ ' ' OE2' ' B' ' 12' ' ' GLU . 64.8 tttm -59.54 -49.63 77.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -54.1 -48.28 70.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.303 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -59.27 -42.32 90.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.74 -40.33 94.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.276 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.411 ' OE2' ' NZ ' ' B' ' 8' ' ' LYS . 98.4 mt-10 -62.88 -41.44 99.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.26 -37.61 74.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.172 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.46 -47.14 87.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.2 -37.09 83.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.18 -49.95 74.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.22 -41.97 92.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 tp -53.94 -51.13 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.46 -40.15 81.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.83 -41.05 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.29 -42.79 92.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.8 -35.58 76.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -80.2 -48.89 12.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.244 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.26 83.5 17.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -56.48 143.26 88.2 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.64 1.56 . . . . 0.0 111.208 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -160.53 150.03 17.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.301 175.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.8 -39.17 80.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.46 -52.88 63.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -71.91 -29.92 64.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.254 -174.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.11 -46.46 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.7 t -64.29 -40.77 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.28 -39.91 92.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.21 82.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 90.9 mt -60.44 -44.12 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -49.95 -52.49 33.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.229 175.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.36 97.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 80.8 mt -64.56 -46.66 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.16 -46.81 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -70.05 -34.95 73.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.02 -47.47 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.08 -41.53 88.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.85 94.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.76 -42.4 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.4 ' O ' HG12 ' B' ' 48' ' ' ILE . 93.3 mt -62.05 -54.57 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.186 178.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.86 -46.93 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 -172.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -66.27 -34.94 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.11 -55.17 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.4 HG12 ' O ' ' B' ' 44' ' ' ILE . 37.6 pt -67.35 -24.98 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -171.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -57.5 -38.02 73.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.63 71.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.283 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.98 -43.77 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.4 t -58.13 -46.33 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.62 -42.2 98.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.39 -31.19 67.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . 0.413 ' HA ' HD22 ' B' ' 55' ' ' ASN . 7.6 m120 -59.61 -52.22 66.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 174.07 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.24 73.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.198 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.08 -52.58 27.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.2 -31.37 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.17 -47.94 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.256 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -60.0 -35.48 75.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.21 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.31 -29.33 63.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 178.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.9 -26.77 68.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.57 -47.69 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.222 175.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.09 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.24 -46.5 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.84 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.93 -40.19 94.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.93 97.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.267 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.38 -36.27 81.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.95 -40.79 95.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.0 -47.1 84.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.25 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 7.6 tp -70.8 -25.95 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.01 55.6 1.12 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 166.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 m -80.23 169.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 111.133 173.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -54.76 125.56 20.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.88 -32.22 67.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.19 -23.13 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 -175.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 45.3 mm -90.21 -39.21 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.12 -41.14 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.28 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.12 -40.61 90.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.244 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -71.11 -43.23 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.222 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.15 -38.69 92.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.92 -39.14 93.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.43 -41.12 93.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.6 -38.8 90.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 58.6 tp -58.46 -51.44 69.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.11 -39.21 94.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.201 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.15 -40.7 74.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 41.4 mt -59.69 -43.54 94.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.78 -41.15 96.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.255 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.52 -44.0 72.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.248 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 42.9 t -72.07 -55.35 7.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.55 -36.74 84.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -169.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -87.45 3.83 45.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -104.45 -48.02 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.295 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.056 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.326 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -157.92 141.26 15.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.729 0.299 . . . . 0.0 111.28 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -70.08 144.54 52.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.239 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.3 mt -57.94 -32.38 67.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.36 -28.61 69.66 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -74.08 -39.98 63.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 111.243 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.05 -42.25 97.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.248 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . 0.435 ' NZ ' ' OE2' ' C' ' 12' ' ' GLU . 64.7 tttm -59.51 -49.56 77.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.195 177.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.3 -48.19 71.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -59.26 -42.27 90.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.7 -40.36 94.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.304 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' GLU . . . . . 0.435 ' OE2' ' NZ ' ' C' ' 8' ' ' LYS . 98.4 mt-10 -62.93 -41.44 99.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.24 -37.65 75.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.41 -47.15 87.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -67.17 -37.09 83.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.2 -49.99 74.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.21 -41.9 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 40.9 tp -53.93 -51.14 64.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.54 -40.05 81.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.73 -41.06 97.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 176.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.5 mt -65.34 -42.76 92.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.92 -35.51 76.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -80.13 -48.87 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.318 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.3 83.53 17.47 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.232 -174.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -56.53 143.29 88.58 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.623 1.549 . . . . 0.0 111.273 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 87.5 p -160.51 150.05 17.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.268 175.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.79 -39.18 80.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.243 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -58.44 -52.88 63.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.94 -29.92 64.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.274 -174.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.09 -46.52 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 65.5 t -64.22 -40.78 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.21 -39.95 92.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.07 83.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.51 -44.14 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -49.97 -52.53 32.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.41 96.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 80.1 mt -64.6 -46.7 91.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.16 -46.85 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -177.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -70.03 -34.91 73.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.07 -47.4 85.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 173.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.1 -41.46 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.82 94.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.8 -42.39 99.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . 0.404 ' O ' HG12 ' C' ' 48' ' ' ILE . 93.2 mt -62.06 -54.59 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.88 -46.86 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -172.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.31 -34.86 78.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.26 -55.1 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 177.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . 0.404 HG12 ' O ' ' C' ' 44' ' ' ILE . 37.6 pt -67.34 -25.02 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 -171.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -57.56 -37.93 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.63 71.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.236 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.94 -43.79 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.2 -46.29 88.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.54 -42.23 98.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.205 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.41 -31.17 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . 0.465 HD22 ' HA ' ' C' ' 55' ' ' ASN . 7.6 m120 -59.63 -52.22 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.226 174.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.16 73.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.13 -52.59 26.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.224 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.24 -31.35 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -66.2 -47.95 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -59.93 -35.56 75.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -57.24 -29.41 63.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.223 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.82 -26.74 68.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.6 -47.82 83.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.05 87.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.281 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.25 -46.54 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.76 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.84 -40.16 94.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.92 97.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 175.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.33 -36.3 81.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.89 -40.82 95.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 175.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.1 84.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.234 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 7.5 tp -70.66 -26.06 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.262 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.11 55.62 1.11 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 166.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 21.1 m -80.22 169.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 111.142 173.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -54.74 125.6 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 -176.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.93 -32.18 67.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.205 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.1 -23.28 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -175.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 45.4 mm -90.18 -39.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.206 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 84.2 mt -59.26 -41.01 87.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.25 -40.51 90.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -71.17 -43.12 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -176.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.28 -38.63 91.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.95 -39.15 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.188 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.41 -41.13 93.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.63 -38.85 90.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.42 -51.51 69.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.14 -39.17 93.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.31 -40.51 74.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.79 -43.52 94.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 175.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.74 -41.21 96.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.231 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.48 -44.06 72.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.229 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 42.7 t -71.98 -55.42 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.47 -36.76 84.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.237 -169.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -87.46 3.86 45.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 -173.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -104.44 -48.11 3.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.219 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.086 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.347 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.4 p -66.03 -14.29 61.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 111.169 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -64.11 -9.42 16.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.226 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp -51.99 -33.05 36.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.225 174.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.74 -32.08 80.38 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.51 -30.62 26.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 0.0 111.126 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.2 -46.37 89.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 172.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -54.05 -51.78 62.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.269 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -54.67 -46.97 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -56.62 -40.69 75.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 mt -69.44 -33.52 73.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.261 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.19 -40.19 95.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.274 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.04 -37.57 75.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.22 -38.0 82.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -60.09 -44.34 94.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.51 -38.39 84.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.91 -46.29 92.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 174.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.19 -47.28 81.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.16 -41.65 88.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.28 -40.66 96.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 174.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.15 -48.09 83.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.12 -43.1 88.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.247 -176.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.52 -39.29 88.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.67 85.6 7.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.2 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.29 136.54 73.97 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.795 1.663 . . . . 0.0 111.147 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.4 p -161.99 156.18 21.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.26 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.56 -38.8 78.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.75 -51.1 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.11 -32.72 72.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -175.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.15 -49.06 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.37 -43.46 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.13 -39.13 93.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -49.76 74.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.186 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.03 -45.92 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.189 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.03 -53.7 31.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.268 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.51 90.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.5 -44.53 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.0 t -59.46 -46.19 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.243 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.35 -38.96 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.57 -38.1 88.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.15 -38.89 84.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.294 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.77 95.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.4 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.78 -45.26 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.255 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.59 -42.65 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.92 -39.02 93.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.96 -41.37 99.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.262 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.89 -46.99 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.29 -43.01 64.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.48 80.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.502 HG21 HG21 ' B' ' 51' ' ' ILE . 29.5 mt -67.17 -44.44 87.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.22 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.39 -45.56 85.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.199 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -68.97 -43.55 74.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -54.78 -42.93 72.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -58.96 -44.65 91.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.211 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.8 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.02 -37.41 81.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.76 -42.41 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.8 t -57.55 -45.3 86.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -65.98 -36.42 83.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.89 -43.5 98.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -60.22 -39.93 88.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -58.36 -48.54 80.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.98 82.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.204 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.01 -46.65 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.29 -42.6 94.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.236 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.47 -39.75 92.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.08 98.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 174.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.93 -37.53 87.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.228 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.21 -42.22 96.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.43 -37.15 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.47 -44.58 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.259 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.94 40.13 0.92 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.3 t -63.58 142.85 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 171.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -37.86 131.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.211 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -56.55 -44.77 81.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -175.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.428 ' NZ ' ' OE2' ' A' ' 81' ' ' GLU . 66.0 tttm -58.72 -47.1 85.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 87.1 mt -59.02 -44.18 90.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.254 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.0 -44.02 97.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.242 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.41 -41.52 98.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -178.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.428 ' OE2' ' NZ ' ' A' ' 77' ' ' LYS . 97.1 mt-10 -61.37 -42.03 98.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.216 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.37 -40.3 89.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.24 -44.74 82.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.71 -43.05 94.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.93 -41.0 91.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.8 tp -68.49 -44.42 74.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.91 -39.77 93.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.56 -39.29 84.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.17 -44.49 97.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.09 -47.35 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.23 -36.9 81.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.305 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.9 p -72.1 -11.82 60.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.19 -25.25 66.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.209 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -79.87 -16.81 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.189 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -117.48 -64.03 1.36 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 -172.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.982 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.745 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 86.6 p -66.1 -14.23 61.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.77 0.319 . . . . 0.0 111.136 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -64.1 -9.4 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 28.7 tp -52.0 -33.03 36.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.82 -32.05 80.44 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.39 -30.71 27.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.159 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.13 -46.31 89.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.296 172.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -54.18 -51.63 63.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.252 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -54.86 -46.85 74.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.212 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.4 m -56.64 -40.69 75.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.7 mt -69.47 -33.49 72.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.25 -40.19 95.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.2 -37.98 81.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -59.98 -44.54 94.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 175.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.42 -38.37 83.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.25 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.0 -46.22 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.222 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.26 -47.24 81.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -59.1 -41.72 88.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -177.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.3 -40.59 96.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 174.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.24 -48.06 83.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.203 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.14 -43.11 88.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.5 -39.35 88.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 -178.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.65 85.64 7.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -55.24 136.46 73.51 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.803 1.668 . . . . 0.0 111.106 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.6 p -161.93 156.13 22.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.245 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.45 -38.75 78.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.83 -51.08 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.227 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -69.2 -32.61 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -175.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.0 mt -63.17 -49.06 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.31 -43.49 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.22 -39.09 93.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.74 74.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.266 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.03 -45.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.293 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.16 -53.71 32.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.63 90.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.56 -44.38 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.295 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.52 -46.22 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.194 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.34 -38.96 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.52 -38.25 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.02 -39.02 84.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.283 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.78 95.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.42 -38.36 90.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.87 -45.14 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.241 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.0 t -59.59 -42.66 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.97 -39.03 93.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.31 99.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.251 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.99 -46.91 90.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.37 -43.04 64.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.51 80.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.502 HG21 HG21 ' A' ' 51' ' ' ILE . 29.5 mt -67.21 -44.41 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 178.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.38 -45.65 85.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.227 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -68.82 -43.59 75.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -54.88 -42.79 72.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -58.97 -44.81 91.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.91 88.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.24 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.0 -37.36 81.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.87 -42.34 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.53 -45.33 86.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.98 -36.39 83.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.261 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.88 -43.39 98.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.236 174.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.24 -39.92 88.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -58.46 -48.51 80.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.99 82.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.98 -46.74 93.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.27 -42.49 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.323 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.55 -39.8 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.06 98.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 173.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.01 -37.48 87.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.194 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.22 -42.29 96.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 175.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.35 -37.21 77.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 90.2 mt -66.47 -44.6 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.92 40.11 0.92 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t -63.55 142.88 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 111.17 171.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -37.9 131.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.43 -44.88 80.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 -175.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' B' ' 81' ' ' GLU . 66.0 tttm -58.64 -47.16 85.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -175.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.0 -44.24 90.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.02 -43.93 97.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.287 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.33 -41.64 98.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.223 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' B' ' 77' ' ' LYS . 97.2 mt-10 -61.35 -42.03 98.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.286 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.29 -40.29 89.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.194 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.22 -44.74 82.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.242 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.79 -42.93 94.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.201 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -66.01 -40.89 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.205 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 45.9 tp -68.58 -44.43 74.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.83 -39.85 93.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.248 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.58 -39.2 84.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.21 -44.54 97.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -55.1 -47.29 75.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.3 -36.91 81.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 57.1 p -72.18 -11.72 60.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -172.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.34 -25.18 66.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -79.79 -16.87 54.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.218 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -117.47 -63.93 1.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.248 -172.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.019 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -172.766 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.562 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -66.17 -14.15 61.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.728 0.299 . . . . 0.0 111.151 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -64.05 -9.5 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.245 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp -51.92 -33.04 35.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.88 -31.97 80.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.5 -30.58 27.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 0.0 111.161 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 tp -62.28 -46.29 89.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.232 172.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -54.19 -51.65 63.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.227 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -54.71 -46.94 74.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.5 m -56.64 -40.64 75.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.22 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -69.58 -33.42 72.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.2 -40.26 95.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.03 -37.51 75.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.2 -38.0 81.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.261 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -60.03 -44.46 94.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.46 -38.44 84.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.93 -46.18 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.24 -47.3 81.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.08 -41.64 88.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.34 -40.57 96.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.25 -48.05 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.1 -43.18 88.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.53 -39.24 88.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.66 85.66 7.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.258 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.34 136.49 73.83 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.747 1.632 . . . . 0.0 111.21 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 95.3 p -161.93 156.14 22.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.273 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.46 -38.8 78.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.259 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.68 -51.2 70.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.259 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.08 -32.7 72.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.207 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 82.5 mt -63.1 -49.09 84.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.3 -43.51 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.189 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.12 -39.14 93.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.7 74.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.294 175.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.05 -45.87 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.15 -53.6 33.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.228 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.58 91.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.53 -44.45 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 75.3 t -59.59 -46.09 93.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.281 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.33 -39.02 93.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.53 -38.15 88.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -60.08 -38.95 84.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.85 95.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.35 -38.44 91.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.83 -45.19 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.227 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 44.2 t -59.56 -42.62 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.95 -39.0 93.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.213 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.41 99.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.228 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.88 -46.99 90.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.35 -42.98 64.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.53 -44.38 80.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . 0.499 HG21 HG21 ' B' ' 51' ' ' ILE . 29.3 mt -67.21 -44.48 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 51.3 t -57.36 -45.61 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.212 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -68.81 -43.61 75.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.82 -42.89 72.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -58.96 -44.78 91.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.9 88.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -67.96 -37.41 81.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.268 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -61.88 -42.32 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.229 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 42.8 t -57.49 -45.37 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.96 -36.45 83.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -62.93 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.218 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.3 -39.9 88.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -58.42 -48.53 80.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.53 -39.03 82.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.95 -46.64 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.22 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.32 -42.57 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.237 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.59 -39.64 91.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.01 98.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.96 -37.51 87.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.269 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.15 -42.23 96.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.242 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.41 -37.07 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.235 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.55 -44.63 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.92 40.19 0.92 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 52.2 t -63.68 142.91 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.376 . . . . 0.0 111.073 171.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -37.89 131.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -56.48 -44.84 81.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' C' ' 81' ' ' GLU . 66.0 tttm -58.67 -47.07 85.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.249 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.02 -44.26 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.97 -43.94 97.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.297 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.37 -41.61 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' C' ' 77' ' ' LYS . 97.1 mt-10 -61.43 -41.95 97.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.183 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.46 -40.25 89.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.23 -44.74 82.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.79 -42.94 94.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.94 -41.0 91.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.56 -44.36 74.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.194 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.96 -39.79 93.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.52 -39.27 85.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.22 -44.48 97.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.246 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.14 -47.27 75.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.32 -36.91 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.264 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 56.9 p -72.13 -11.74 60.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 -173.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.27 -25.23 66.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -79.86 -16.78 54.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.23 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -117.5 -63.98 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.201 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.992 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.715 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' N ' ' OXT' ' C' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -62.83 -22.14 66.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.347 . . . . 0.0 111.199 -177.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -57.19 -20.52 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.2 -32.04 34.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.88 -56.47 18.4 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.74 -37.22 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.76 0.314 . . . . 0.0 111.139 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.68 -49.36 77.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.261 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.84 -44.28 86.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -56.05 -49.59 73.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -60.41 -36.66 78.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.572 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.5 tm? -63.15 -46.88 85.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -36.98 85.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.69 -38.39 83.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.211 175.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.5 tp -60.22 -43.58 95.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 174.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.58 -46.34 80.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.204 174.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -55.15 -46.18 75.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.51 -43.11 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 tp -55.12 -49.54 71.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.98 -40.38 88.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.31 -39.86 93.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.42 -50.31 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.01 -40.33 96.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -175.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.46 -41.54 84.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.226 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.46 79.51 35.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.94 135.08 66.89 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.69 1.593 . . . . 0.0 111.159 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.9 p -165.58 156.97 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.66 -38.21 77.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.249 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.66 -51.55 69.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.5 -33.56 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.28 -49.49 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.94 -43.07 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.09 -38.61 91.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.95 88.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.211 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.35 -46.48 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.93 -53.52 48.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.84 83.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.96 -46.04 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.249 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.28 -43.81 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.96 -40.68 96.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -58.99 -50.4 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 174.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -58.99 -43.79 91.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.7 86.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.218 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.7 -37.43 82.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.51 -46.36 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.83 -41.66 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.286 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -62.06 -43.56 98.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.98 80.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.26 -40.79 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.63 -51.94 34.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.27 171.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.43 93.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.7 mt -64.43 -45.69 95.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.213 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.93 -44.08 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.84 -40.74 96.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 176.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.56 -43.57 98.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 176.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -59.65 -43.35 93.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.88 95.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -65.03 -40.0 94.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.27 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.91 -41.69 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.184 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.0 t -57.61 -47.67 84.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.77 -36.09 81.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.36 -48.44 79.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.53 -40.43 91.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.218 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.9 -51.78 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.04 80.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.89 -46.76 90.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.86 -44.54 99.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.268 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.78 -37.03 85.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 176.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.92 95.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.33 -39.13 93.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.28 -42.38 98.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.33 82.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.89 -42.2 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.75 33.02 1.34 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.88 143.99 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.274 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' A' ' 77' ' ' LYS . 19.0 t0 -43.11 129.86 4.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.235 176.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.49 -28.58 70.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 -173.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' NZ ' ' OD2' ' A' ' 75' ' ' ASP . 38.4 mtmm -61.92 -56.98 13.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.262 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.74 -30.84 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.6 -48.48 80.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -57.03 -47.93 79.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 176.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -56.24 -48.9 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.4 mtm -62.13 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 -175.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.04 -42.37 97.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.171 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.12 -41.52 81.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.266 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.88 -39.01 87.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.185 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.78 -47.22 78.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.13 -35.32 75.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.58 -38.51 87.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.194 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.12 -49.16 78.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 171.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -56.0 -48.88 75.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.226 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.78 -43.88 94.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -60.18 -39.67 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.272 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.11 -49.16 71.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.55 -33.45 66.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -171.341 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.63 5.24 48.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.27 -170.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.442 ' OXT' ' N ' ' B' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.199 -2.059 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.442 ' N ' ' OXT' ' A' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.6 p -62.77 -22.17 66.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 111.175 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -57.16 -20.51 26.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.8 tp -52.13 -32.11 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.218 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.85 -56.54 17.96 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.62 -37.27 84.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.67 -49.45 77.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.82 -44.28 86.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -55.97 -49.59 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.5 m -60.38 -36.67 78.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.572 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.5 tm? -63.22 -46.83 85.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -37.04 85.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.55 -38.42 84.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.182 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 40.1 tp -60.33 -43.56 96.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 174.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.56 -46.35 80.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -55.1 -46.18 75.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.61 -43.07 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 tp -55.2 -49.49 71.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.213 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.02 -40.34 88.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.35 -39.85 92.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.37 -50.2 74.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.19 -40.23 95.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -175.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.53 -41.46 84.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.249 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -137.53 79.52 35.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -54.92 135.1 66.92 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.676 1.584 . . . . 0.0 111.124 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.9 p -165.62 157.01 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.69 -38.24 77.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.242 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.66 -51.51 69.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -65.46 -33.57 76.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.5 mt -63.32 -49.49 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.4 t -64.96 -43.1 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.14 -38.46 91.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.99 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.226 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.38 -46.4 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.99 -53.57 48.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.77 82.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -63.98 -46.15 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.07 -43.83 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.277 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.04 -40.69 96.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.89 -50.44 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -58.96 -43.84 91.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.58 86.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -67.8 -37.45 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.44 -46.5 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.79 -41.63 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.247 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -62.05 -43.56 98.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.94 -36.92 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.221 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.29 -40.8 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.228 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.65 -51.91 34.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.276 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.5 93.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.28 -45.76 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.9 -44.14 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.84 -40.75 96.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.19 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.45 -43.55 98.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.229 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -59.8 -43.33 94.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.176 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.74 95.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -65.15 -39.93 93.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.94 -41.66 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 45.8 t -57.59 -47.7 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.75 -36.14 81.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.27 -48.46 79.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.195 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.56 -40.39 91.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.172 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.99 -51.75 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 176.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.09 79.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.255 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.85 -46.77 90.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.96 -44.46 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.213 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.85 -37.07 85.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.8 95.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.247 175.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.33 -39.22 93.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.28 -42.37 98.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.213 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.27 82.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.06 -42.07 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.237 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.69 33.06 1.34 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.9 144.0 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.262 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . 0.409 ' OD2' ' NZ ' ' B' ' 77' ' ' LYS . 19.0 t0 -43.08 129.91 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 176.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.53 -28.66 70.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -173.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.409 ' NZ ' ' OD2' ' B' ' 75' ' ' ASP . 38.4 mtmm -61.89 -57.0 13.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.283 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.59 -30.94 51.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -58.62 -48.43 81.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -57.01 -47.94 79.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -56.25 -48.85 75.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.267 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.4 mtm -62.14 -43.41 98.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.01 -42.39 97.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -177.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.15 -41.52 81.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.82 -39.09 87.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.73 -47.18 79.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.19 -35.24 74.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.59 -38.59 87.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.01 -49.16 78.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.06 -48.89 75.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.191 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.77 -43.88 94.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 74.2 m -60.22 -39.64 87.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 60.4 tp -65.16 -49.2 70.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.46 -33.46 67.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.249 -171.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.71 5.36 48.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.21 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . 0.437 ' OXT' ' N ' ' C' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.199 -2.049 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . 0.437 ' N ' ' OXT' ' B' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.577 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -62.9 -22.01 66.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 0.0 111.145 -177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -57.2 -20.48 27.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.24 -32.01 34.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.248 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.88 -56.52 18.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.7 -37.13 84.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.74 -49.43 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.86 -44.23 86.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -56.13 -49.49 73.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -60.45 -36.71 78.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.564 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.5 tm? -63.07 -46.87 85.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.264 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.14 -36.98 85.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.61 -38.41 83.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.228 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 40.2 tp -60.26 -43.58 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 174.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.6 -46.32 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.181 174.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -55.17 -46.22 75.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.5 -43.12 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.2 -49.44 71.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.249 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.06 -40.37 89.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.3 -39.92 93.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.33 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 -175.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.54 -41.49 84.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.48 79.51 35.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -54.94 135.06 66.83 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.673 1.582 . . . . 0.0 111.176 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 94.4 p -165.54 157.08 14.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.8 -38.2 78.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.72 -51.49 69.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -65.49 -33.57 76.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.25 -49.51 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.93 -43.13 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.12 -38.51 91.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.2 -47.06 87.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.29 -46.46 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.96 -53.5 48.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.235 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.74 82.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.04 -46.1 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.14 -43.79 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.02 -40.72 96.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -58.98 -50.41 74.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 174.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -59.01 -43.74 91.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.6 86.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -67.79 -37.48 82.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.47 -46.36 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.216 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.91 -41.54 86.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.281 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -62.03 -43.6 98.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.193 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.87 80.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.27 -40.84 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.64 -51.96 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 172.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.46 93.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.189 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.35 -45.76 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.86 -44.15 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.82 -40.72 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.46 -43.66 98.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -59.68 -43.43 94.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.8 95.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -65.09 -39.92 93.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.231 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.99 -41.69 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.49 -47.73 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.244 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.68 -36.19 81.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.196 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.28 -48.45 79.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.234 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.56 -40.42 91.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.167 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.92 -51.83 68.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.13 80.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.217 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.5 mt -64.81 -46.79 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.91 -44.55 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.76 -37.04 85.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.83 95.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.213 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.31 -39.2 93.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.3 -42.37 98.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.19 82.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.03 -42.02 90.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.273 176.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.64 32.96 1.36 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.87 144.01 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.249 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . 0.415 ' OD2' ' NZ ' ' C' ' 77' ' ' LYS . 19.0 t0 -43.12 129.89 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.52 -28.57 70.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.204 -173.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' LYS . . . . . 0.415 ' NZ ' ' OD2' ' C' ' 75' ' ' ASP . 38.4 mtmm -61.98 -57.0 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.65 -30.84 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.59 -48.47 80.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -57.08 -47.94 79.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -56.21 -48.84 75.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 74.3 mtm -62.24 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -175.076 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.05 -42.35 97.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.19 -41.5 81.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.87 -39.04 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.72 -47.25 78.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.15 -35.3 75.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.211 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.41 -38.71 88.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.05 -49.13 78.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 171.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -56.0 -48.92 75.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.201 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.83 -43.84 94.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 74.1 m -60.14 -39.65 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.232 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.18 -49.12 71.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 177.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -72.53 -33.45 66.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -171.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.67 5.29 48.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.184 -170.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . 0.44 ' OXT' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.2 -1.989 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' C' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 m -75.98 -19.14 58.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 111.183 -165.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.401 ' ND1' ' O ' ' C' ' 96' ' ' GLY . 9.1 p-80 -70.04 -14.66 62.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.193 -175.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.53 -28.17 69.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.47 -50.74 64.51 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.21 -38.48 90.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.216 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.21 -43.46 94.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.231 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.41 -51.81 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -58.68 -45.67 88.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -63.62 -40.93 98.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.0 mt -61.56 -41.2 97.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.77 -40.49 95.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.12 -41.3 97.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.26 -41.97 94.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.28 -41.21 96.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.209 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.96 -39.15 93.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.5 mt -65.44 -42.49 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.262 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.7 mt -58.9 -41.43 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.24 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.51 -50.25 70.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.19 -40.23 93.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.79 -47.48 80.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.256 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -73.62 -43.95 58.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.48 -39.68 85.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.53 79.13 25.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.202 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -54.08 136.71 68.25 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.727 1.618 . . . . 0.0 111.224 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.6 p -164.06 157.18 17.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.09 -36.41 72.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -58.53 -54.62 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.26 -35.01 73.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.204 -174.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.42 -50.47 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.69 -45.65 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 -177.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.5 -38.85 92.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.213 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.99 71.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.2 mt -62.64 -46.47 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -56.7 -47.15 80.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.32 92.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.61 -43.09 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.235 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.21 -41.99 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.254 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.93 -42.28 93.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -58.63 -49.34 77.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -56.77 -47.89 79.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.85 89.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.224 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -65.56 -40.35 92.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.406 ' O ' HG12 ' A' ' 48' ' ' ILE . 90.5 mt -64.28 -52.93 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.192 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.32 -40.72 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.24 -45.87 91.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -36.62 84.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.406 HG12 ' O ' ' A' ' 44' ' ' ILE . 25.9 mm -62.63 -39.51 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.231 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.78 -45.5 78.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.258 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.41 87.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.195 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.2 mm -61.79 -41.53 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.248 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.2 -44.62 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.33 -40.97 96.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -63.0 -39.1 93.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -63.77 -37.56 87.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.47 -38.93 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -67.3 -35.45 79.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.91 -40.19 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.07 -43.73 93.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 174.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -61.78 -37.4 84.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.66 -49.33 73.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.221 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -58.77 -41.14 85.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -59.54 -54.97 40.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.196 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.41 -37.31 80.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.2 mt -62.4 -47.75 91.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.97 -42.27 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.56 -39.57 91.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.72 97.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.38 -35.79 81.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -65.84 -40.67 91.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.4 95.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -176.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.0 pt -78.46 -20.74 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.12 46.96 1.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 168.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.9 t -60.52 144.39 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 111.17 169.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.77 134.63 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.49 -46.5 76.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.25 -175.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.11 -46.89 84.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.59 -42.56 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.03 -45.12 93.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.226 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.54 -40.31 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.11 -41.84 99.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.204 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.44 -40.32 85.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.02 -39.81 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.73 -50.52 73.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 173.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.31 -38.85 81.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -178.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.66 -50.77 72.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.85 -40.82 92.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.36 -46.62 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.83 -51.54 64.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.35 -42.96 74.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.247 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.58 -36.6 68.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.9 m -61.31 -31.37 71.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.09 -19.06 65.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -82.88 -6.1 59.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -70.46 176.54 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.198 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' B' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.2 -2.0 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.558 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.5 m -75.99 -19.1 58.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 111.192 -165.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . 0.402 ' ND1' ' O ' ' A' ' 96' ' ' GLY . 9.1 p-80 -70.08 -14.62 62.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.212 -175.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.58 -28.1 69.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.55 -50.61 65.93 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.24 -38.5 90.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 111.213 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.34 -43.35 94.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.58 -51.72 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -58.66 -45.69 88.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -63.68 -40.92 98.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.149 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.4 -41.31 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.258 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.71 -40.53 95.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.19 -41.12 97.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.256 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 42.7 mt -60.36 -41.99 94.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.32 -41.14 96.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.186 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.01 -39.17 93.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.35 -42.52 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.298 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.91 -41.39 87.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.216 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.62 -50.2 70.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.187 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.12 -40.2 94.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 63.2 tp -63.9 -47.47 80.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.261 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -73.56 -44.0 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -175.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.45 -39.77 85.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.52 79.21 25.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.09 136.71 68.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.755 1.637 . . . . 0.0 111.193 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 90.1 p -164.05 157.25 18.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.2 -36.38 73.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -58.57 -54.53 45.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.34 -34.96 73.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.48 -50.46 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.3 t -64.67 -45.68 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.44 -38.91 92.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.89 71.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.71 -46.5 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -56.63 -47.23 80.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.4 92.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.56 -43.06 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.25 -42.02 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.88 -42.33 93.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 176.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -58.57 -49.38 77.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -56.82 -47.85 79.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.81 89.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.24 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.48 -40.43 93.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.407 ' O ' HG12 ' B' ' 48' ' ' ILE . 90.3 mt -64.35 -52.86 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.226 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.33 -40.72 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -172.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.14 -45.97 91.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.62 84.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.239 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . 0.407 HG12 ' O ' ' B' ' 44' ' ' ILE . 26.0 mm -62.64 -39.47 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.86 -45.43 78.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.33 87.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.244 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 33.9 mm -61.92 -41.54 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.09 -44.72 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.37 -40.93 96.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.96 -39.02 93.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.238 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.93 -37.49 87.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.87 88.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.243 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -67.26 -35.51 79.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.91 -40.2 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.204 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.96 -43.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 174.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -61.87 -37.36 84.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.69 -49.36 73.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -58.73 -41.15 85.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -59.52 -54.99 40.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.44 80.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.238 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 72.6 mt -62.32 -47.86 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.244 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.86 -42.24 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.65 -39.5 91.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.63 98.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.44 -35.78 81.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -65.78 -40.71 92.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.27 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.35 95.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.177 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 pt -78.48 -20.69 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.09 47.02 1.94 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 168.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 38.8 t -60.54 144.39 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.782 0.325 . . . . 0.0 111.191 169.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.77 134.62 0.7 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.42 -46.52 76.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.233 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.2 -46.8 85.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 -176.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.66 -42.57 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.99 -45.15 93.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.54 -40.34 94.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.12 -41.77 99.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 178.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.47 -40.32 85.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.06 -39.72 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.252 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.77 -50.45 73.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.258 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -59.34 -38.87 81.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.64 -50.79 72.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 176.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.78 -40.78 92.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.242 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.41 -46.58 86.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.88 -51.53 64.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.4 -42.86 74.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.57 -36.68 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 66.5 m -61.28 -31.34 71.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.205 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.1 -19.0 65.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.261 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -82.82 -6.22 59.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 -177.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -70.36 176.57 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 177.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' C' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.2 -2.003 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 175.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' B' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.544 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 61.3 m -75.83 -19.27 59.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.22 -165.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . 0.407 ' ND1' ' O ' ' B' ' 96' ' ' GLY . 9.1 p-80 -70.01 -14.72 62.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -175.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.59 -28.11 69.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 -176.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.48 -50.69 65.0 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.25 -38.42 90.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 111.257 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.38 -43.41 94.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.39 -51.85 65.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -58.58 -45.75 88.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -63.58 -40.93 98.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.271 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.52 -41.24 97.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.195 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.8 -40.43 95.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.19 -41.25 97.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.29 -41.98 94.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.23 -41.2 96.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.221 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.02 -39.1 92.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.191 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.46 -42.55 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 mt -58.85 -41.42 86.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.247 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.51 -50.33 70.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.09 -40.25 94.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.85 -47.48 80.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -174.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -73.55 -44.03 58.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -175.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.47 -39.73 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.53 79.18 25.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.12 136.68 68.44 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.73 1.62 . . . . 0.0 111.251 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -164.1 157.18 17.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.09 -36.45 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -58.53 -54.55 45.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.36 -34.92 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.196 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.5 -50.36 78.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.77 -45.65 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.43 -38.91 92.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.235 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -50.89 71.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 89.2 mt -62.73 -46.38 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.288 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -56.7 -47.22 80.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.31 92.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.227 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.6 -42.96 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.298 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -61.34 -42.01 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.96 -42.25 93.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 176.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -58.62 -49.32 77.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.237 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -56.74 -47.95 78.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.8 89.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.264 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.52 -40.4 92.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . 0.4 ' O ' HG12 ' C' ' 48' ' ' ILE . 90.0 mt -64.38 -52.84 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.45 -40.7 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -172.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.13 -45.93 91.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.08 -36.46 84.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.27 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . 0.4 HG12 ' O ' ' C' ' 44' ' ' ILE . 25.9 mm -62.8 -39.4 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.79 -45.55 78.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.272 171.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.38 87.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.236 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 mm -61.91 -41.48 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 62.2 t -61.11 -44.72 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.44 -40.85 95.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.95 -39.11 93.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.86 -37.51 87.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.93 88.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.24 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -67.22 -35.51 79.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.92 -40.19 87.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.94 -43.81 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -61.75 -37.47 84.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.66 -49.32 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.24 173.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -58.6 -41.29 85.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -59.47 -55.06 39.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.4 80.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.223 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.36 -47.82 91.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.83 -42.29 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.182 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.62 -39.52 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.224 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.78 97.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.217 173.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.3 -35.75 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -65.9 -40.72 91.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.39 94.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 pt -78.47 -20.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.09 46.84 1.97 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 169.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 38.9 t -60.41 144.37 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.219 169.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.81 134.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.52 -46.52 77.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.216 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.09 -46.9 84.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -176.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.54 -42.57 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.04 -45.16 93.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.47 -40.39 94.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.08 -41.72 99.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.266 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.52 -40.31 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.04 -39.78 93.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.64 -50.62 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 173.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.23 -38.89 81.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.64 -50.81 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.76 -40.82 92.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -58.36 -46.6 85.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.97 -51.45 64.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.145 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.41 -42.98 74.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.44 -36.69 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.241 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 66.5 m -61.23 -31.41 71.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.181 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.12 -19.01 65.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -82.85 -6.2 59.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -70.29 176.52 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.214 177.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.199 -2.066 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -68.68 156.28 38.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.776 0.322 . . . . 0.0 111.246 168.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -66.2 -43.79 85.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.2 tp -61.29 -46.38 90.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.81 -54.08 40.24 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.79 -32.22 71.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.16 -47.6 79.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.43 -42.43 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -54.02 -46.47 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 174.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -59.41 -39.36 83.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.268 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.32 -41.59 84.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.211 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.88 -37.87 89.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -64.14 -39.99 95.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.61 -39.57 94.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.14 -52.59 64.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -56.48 -48.93 76.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.76 -44.27 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.214 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.75 -46.62 84.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.202 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.35 -39.43 87.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.255 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.62 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.283 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.18 -38.8 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.21 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.69 -37.66 87.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.21 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -80.57 -35.03 34.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.19 94.96 2.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -176.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -81.27 61.45 8.13 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.686 1.591 . . . . 0.0 111.212 -173.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -74.45 155.64 37.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.16 -38.44 79.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.212 175.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.85 -50.3 72.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -64.75 -35.84 82.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.196 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.99 -45.75 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.03 -41.68 90.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.171 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.91 -38.28 87.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.84 82.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.9 mt -60.19 -46.53 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.25 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -49.98 -54.74 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.64 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -177.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.0 mt -64.61 -44.34 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.4 -43.17 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.97 -38.67 92.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 176.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.23 -50.3 73.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.02 -35.78 77.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.17 89.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -66.05 -35.02 79.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.22 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.85 -47.83 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.67 -46.12 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.182 -177.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.42 -37.94 86.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.41 95.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mm -62.61 -42.83 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.19 -48.13 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.226 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.02 83.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.71 -43.13 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.23 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.59 -45.0 97.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.31 -42.11 98.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 177.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.69 -46.41 89.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.225 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.49 -42.42 87.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.37 96.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.58 -37.85 87.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.73 -42.76 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.99 -47.51 91.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.08 -37.46 87.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.295 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -63.36 -49.58 73.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.266 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.07 -39.33 85.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.216 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -55.64 -53.42 56.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.48 85.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.207 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.31 -47.21 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.25 -43.34 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.272 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.46 -40.66 92.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.92 -44.93 96.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.61 -35.09 79.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.185 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.78 -44.46 85.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.47 -34.68 71.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 -175.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.6 pt -88.95 -3.42 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 -175.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.87 47.18 4.87 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 170.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.6 t -72.76 143.72 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.207 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -40.46 129.21 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.43 -38.54 66.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -57.95 -48.11 80.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 -176.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.57 -41.63 92.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.18 -43.06 92.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.63 -43.24 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.96 -44.9 91.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.14 -41.26 94.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.36 -34.82 78.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.26 -45.11 93.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.209 173.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.51 -37.09 85.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.204 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.77 -49.14 73.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.212 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.36 -42.58 98.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.217 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.84 -36.85 82.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.41 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.201 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.97 -32.81 71.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.265 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -56.32 -31.32 63.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.2 p -63.38 -22.1 66.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 92.1 mt -72.79 -17.07 61.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.241 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -88.43 -5.82 58.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.01 -46.55 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.203 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.947 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.218 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -68.66 156.19 38.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.807 0.337 . . . . 0.0 111.231 168.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -66.17 -43.71 86.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.229 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 26.1 tp -61.35 -46.34 90.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.189 176.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.89 -54.02 40.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.79 -32.22 71.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.739 0.304 . . . . 0.0 111.154 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.18 -47.59 79.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.4 -42.54 99.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -53.89 -46.5 71.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -59.41 -39.43 83.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.233 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.26 -41.52 84.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.289 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.94 -37.8 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.296 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.18 -39.99 95.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 173.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.62 -39.54 94.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 177.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -58.17 -52.61 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -56.43 -48.95 75.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.8 -44.27 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.74 -46.57 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.41 -39.37 87.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.264 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.59 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.261 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.1 -38.84 90.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.208 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.64 -37.74 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -80.5 -35.09 35.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.2 95.02 2.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -81.26 61.36 8.11 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.699 1.599 . . . . 0.0 111.226 -173.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 97.7 p -74.39 155.64 37.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.16 -38.44 79.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 175.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.79 -50.37 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -64.67 -35.87 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.0 -45.84 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -66.03 -41.59 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.216 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.98 -38.17 87.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.198 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.33 -47.85 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 173.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.21 -46.48 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.306 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -50.03 -54.71 18.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.219 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.61 83.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 75.0 mt -64.63 -44.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.36 -43.24 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.87 -38.72 91.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.266 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.2 -50.28 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 171.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.02 -35.84 77.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.22 89.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -65.94 -35.09 79.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.219 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.82 -47.85 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.7 t -55.67 -46.22 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.29 -37.99 86.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.36 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.0 mm -62.64 -42.76 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.12 -48.2 71.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.242 172.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.96 83.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.195 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.78 -43.1 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.203 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.56 -44.98 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.197 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.4 -42.08 98.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.75 -46.32 89.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -58.61 -42.33 87.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.21 96.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.208 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.71 -37.85 87.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.64 -42.86 95.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.05 -47.46 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 177.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.03 -37.45 87.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.288 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -63.46 -49.58 73.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.184 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.05 -39.36 85.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.235 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -55.61 -53.43 56.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.284 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.51 85.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.38 -47.19 94.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.17 -43.4 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.223 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.59 -40.59 92.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.98 -44.94 96.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.53 -35.1 79.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.77 -44.51 85.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 174.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -34.71 71.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 41.4 pt -88.9 -3.44 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.89 47.24 4.84 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 170.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 36.8 t -72.74 143.69 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.778 0.323 . . . . 0.0 111.237 170.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . 0.402 ' OD2' ' NZ ' ' B' ' 77' ' ' LYS . 20.7 t0 -40.48 129.2 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 -178.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.33 -38.62 66.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . 0.402 ' NZ ' ' OD2' ' B' ' 75' ' ' ASP . 38.2 mtmm -57.91 -48.17 80.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -176.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.64 -41.68 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.13 -43.04 91.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.175 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.56 -43.29 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.94 -44.93 91.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.14 -41.31 94.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.29 -34.81 78.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.34 -45.1 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.229 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.43 -37.14 86.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.183 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.7 tp -55.73 -49.15 73.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.4 -42.57 98.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.176 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.79 -36.89 82.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.45 -43.28 99.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.98 -32.79 71.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.22 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -56.44 -31.3 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 82.2 p -63.39 -21.99 66.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.209 -175.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 92.4 mt -72.92 -17.02 61.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.257 -175.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -88.42 -5.73 58.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.267 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.03 -46.67 5.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.016 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.153 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -68.69 156.22 38.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 111.207 168.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -66.16 -43.74 86.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 26.5 tp -61.29 -46.43 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.189 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.82 -54.08 40.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.71 -32.26 71.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.856 0.36 . . . . 0.0 111.181 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.16 -47.69 78.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.34 -42.52 99.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.206 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -53.83 -46.56 71.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -59.43 -39.37 83.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.241 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.28 -41.6 84.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.92 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.08 -40.02 95.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.63 -39.59 94.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.188 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.06 -52.66 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.213 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -56.49 -48.94 76.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.74 -44.37 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.63 -46.68 83.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.187 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.38 -39.4 87.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.52 -38.22 90.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.16 -38.77 90.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.73 -37.71 87.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.113 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -80.47 -35.15 35.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.12 95.02 2.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.199 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -81.25 61.34 8.11 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.697 1.598 . . . . 0.0 111.221 -173.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -74.39 155.59 37.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 -177.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.09 -38.48 79.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.204 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.82 -50.35 72.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 178.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -64.77 -35.84 82.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.98 -45.75 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.163 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 72.5 t -66.06 -41.66 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.9 -38.21 87.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.73 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.286 173.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.23 -46.49 94.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.275 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -50.03 -54.7 18.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.209 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.6 83.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 75.3 mt -64.56 -44.42 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.34 -43.24 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.92 -38.69 92.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.268 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.21 -50.31 73.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 171.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.99 -35.82 77.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.16 89.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.235 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -66.11 -34.92 79.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.86 -47.9 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.66 -46.13 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.185 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.32 -38.06 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.38 95.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.236 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mm -62.61 -42.75 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.16 -48.25 71.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 172.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.04 83.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.69 -43.25 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.5 -45.04 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.31 -42.08 98.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.75 -46.4 89.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.203 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -58.45 -42.44 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.27 96.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.254 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.72 -37.79 87.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.69 -42.77 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.05 -47.44 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.12 -37.48 87.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -63.42 -49.56 73.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.225 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -60.07 -39.35 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -55.6 -53.47 56.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.55 85.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.202 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.32 -47.15 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.2 -43.39 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.267 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.51 -40.62 92.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.92 96.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 174.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.54 -35.15 79.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.223 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.79 -44.49 85.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.18 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.74 71.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.232 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 41.4 pt -88.88 -3.45 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.92 47.09 4.89 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 170.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -72.67 143.73 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 111.238 170.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -40.49 129.21 2.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.22 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.34 -38.61 66.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.222 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -57.91 -48.19 80.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.53 -41.67 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.11 -43.09 91.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.58 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.87 -44.94 91.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.13 -41.32 94.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.3 -34.77 78.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.43 -44.99 92.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.53 -37.15 85.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.63 -49.21 73.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.235 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.34 -42.61 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.2 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -61.8 -36.87 82.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.36 -43.45 98.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.85 -32.86 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.279 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -56.39 -31.23 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 82.3 p -63.48 -21.96 66.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.158 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.95 -16.95 61.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.268 -175.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -88.49 -5.76 58.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.213 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.03 -46.62 5.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.997 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.155 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.3 p -61.42 -28.31 69.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.221 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -66.99 -35.9 80.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.267 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.15 -38.82 90.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.243 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.63 -52.15 54.69 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 173.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.1 -41.19 87.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.741 0.305 . . . . 0.0 111.216 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.24 -45.25 94.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.2 -40.01 86.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.198 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -58.46 -48.16 81.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 175.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.3 m -57.91 -40.99 81.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.297 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.06 -39.3 94.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -67.35 -41.83 84.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.85 -38.9 83.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.239 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.4 tp -63.23 -40.75 98.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.213 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.44 -48.65 78.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.204 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.82 -39.03 80.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.12 -46.91 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.5 tp -56.46 -45.9 80.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.35 -42.06 90.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.52 -40.93 96.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.238 174.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.63 -50.06 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.42 -41.54 96.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.77 -41.87 74.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.84 80.64 30.2 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -54.01 135.53 64.07 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.72 1.613 . . . . 0.0 111.212 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.3 p -164.76 155.92 14.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.62 -36.93 74.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.32 -52.18 66.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.28 -31.42 68.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -174.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.73 -49.51 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.201 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.07 -43.41 97.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.202 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.68 -38.84 92.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.236 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.9 88.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.226 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 38' ' ' VAL . 86.1 mt -63.02 -47.45 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.08 -52.46 51.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.29 83.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.8 mt -65.14 -44.93 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 34' ' ' ILE . 64.4 t -58.97 -46.15 91.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.235 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.48 -40.72 97.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.89 -41.68 91.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.197 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -55.9 -43.35 77.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.66 89.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.67 -39.98 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.213 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.02 -45.94 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.68 -40.71 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -59.12 -40.52 85.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.275 175.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.28 99.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.231 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.8 mm -58.44 -45.76 89.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.4 -53.56 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.09 -39.37 78.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.03 -48.2 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.39 -44.52 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.265 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.16 -39.65 94.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -61.58 -43.02 99.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.219 176.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.12 -38.37 82.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.06 93.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.09 -37.31 87.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.274 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.25 -43.21 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.69 -46.67 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -66.43 -37.22 84.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.47 -46.47 89.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 172.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.19 -37.29 79.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -58.1 -47.4 83.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 174.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.4 85.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.258 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.17 -45.39 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.23 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.26 -43.44 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.27 -39.58 93.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.93 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -69.71 -43.99 71.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -60.42 -38.34 83.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.73 -25.47 64.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.6 pt -112.07 23.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -173.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.94 22.17 55.83 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 159.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.7 t -64.17 143.92 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.3 . . . . 0.0 111.181 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -43.62 129.58 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.297 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.23 -45.21 94.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.234 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.31 -46.53 88.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.221 -173.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 90.1 mt -59.93 -43.52 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.57 -43.33 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.53 -41.56 97.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.191 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.11 -39.39 94.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.41 -38.75 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.247 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.95 -40.25 97.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.231 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.36 -38.76 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.02 -38.22 87.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.4 mt -69.92 -35.59 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.42 -40.52 97.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -62.28 -42.71 99.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.83 -42.57 99.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -58.99 -46.23 88.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.32 -37.51 83.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.2 t -64.25 -42.12 96.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.14 -24.16 66.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.241 -175.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.67 -29.42 66.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 174.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -95.66 -47.03 6.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 175.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.198 -2.102 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.606 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -61.4 -28.28 69.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 0.0 111.151 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -67.05 -36.0 81.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.193 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.06 -38.87 90.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.209 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.51 -52.27 53.87 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 173.012 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.14 -41.13 87.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.34 . . . . 0.0 111.184 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 68.4 mt -62.21 -45.32 93.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.188 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.21 -40.03 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -58.49 -48.11 81.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 62.3 m -57.95 -41.01 81.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.03 -39.3 94.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -67.41 -41.82 84.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.9 -38.87 83.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.248 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 tp -63.15 -40.78 98.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.242 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.49 -48.55 78.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.81 -39.1 80.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.2 -46.89 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -56.46 -45.83 80.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.23 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.43 -42.02 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.63 -40.83 96.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 174.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.68 -49.99 75.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.226 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.49 -41.6 96.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -175.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.52 -42.09 75.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.69 80.56 31.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -54.02 135.51 64.07 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.745 1.63 . . . . 0.0 111.168 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -164.69 156.01 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.7 -36.94 75.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 178.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.23 -52.14 66.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.179 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.39 -31.3 68.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.217 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.85 -49.47 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.06 -43.41 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.7 -38.85 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.42 -46.84 88.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.237 175.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.99 -47.47 92.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.07 -52.36 51.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -38.21 84.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.08 -44.92 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 64.7 t -59.02 -46.16 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.42 -40.81 98.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.182 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.92 -41.6 91.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -55.92 -43.43 77.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.64 89.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.237 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.61 -40.07 94.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.96 -45.96 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.236 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.74 -40.65 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -59.14 -40.54 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.22 99.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 175.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.49 -45.75 89.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.45 -53.47 57.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.19 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.282 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.13 -48.14 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.54 -44.4 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -64.05 -39.72 94.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.68 -42.93 99.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.213 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -60.18 -38.36 82.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.04 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.09 -37.37 87.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.26 -43.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.86 -46.52 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.253 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -66.47 -37.27 84.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.207 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -60.35 -46.47 89.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.24 -37.27 79.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.238 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -58.13 -47.3 83.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.41 85.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.205 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.25 -45.37 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.19 -43.44 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.246 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.25 -39.69 93.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.02 83.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 80.4 mt -69.64 -43.92 71.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.226 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -60.51 -38.36 84.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.65 -25.52 64.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 45.6 pt -112.05 23.46 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.91 22.14 55.96 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 159.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 37.9 t -64.12 143.9 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.735 0.302 . . . . 0.0 111.214 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -43.61 129.52 5.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.277 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.23 -45.25 93.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -176.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.37 -46.44 88.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.04 -43.48 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 65.7 mt -61.51 -43.25 99.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.75 -41.26 97.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.36 -39.31 94.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.36 -38.81 85.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.99 -40.24 97.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.226 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.32 -38.75 90.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.1 -38.21 88.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.193 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.83 -35.64 74.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.3 -40.59 97.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.305 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.43 -42.55 99.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.217 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.88 -42.56 99.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -59.0 -46.17 88.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.227 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -61.41 -37.46 83.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.22 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.1 t -64.22 -42.2 96.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.13 -24.19 66.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.207 -175.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.5 -29.56 66.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 174.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -95.49 -47.19 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.231 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.019 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.938 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.586 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 83.3 p -61.43 -28.22 69.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.192 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -67.09 -36.0 81.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.14 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.05 -38.87 90.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.241 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.58 -52.11 54.89 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.11 -41.29 87.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.1 -45.29 94.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.25 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.2 -39.99 86.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -58.43 -48.19 81.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 61.9 m -57.94 -40.99 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.265 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.04 -39.28 94.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.47 -41.78 84.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.82 -38.92 83.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 174.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 37.3 tp -63.26 -40.68 98.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.238 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.46 -48.62 78.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.93 -38.95 80.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.22 -46.87 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.216 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 tp -56.41 -45.88 80.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.233 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.34 -42.15 90.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.62 -40.76 96.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.267 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.68 -50.01 75.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.48 -41.6 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.62 -42.01 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.72 80.6 31.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -53.98 135.52 63.89 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.739 1.626 . . . . 0.0 111.164 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -164.8 155.94 14.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.69 -36.86 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.31 -52.12 66.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.156 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -70.4 -31.25 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -174.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.84 -49.5 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.07 -43.41 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.72 -38.82 92.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.185 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.89 88.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.403 ' O ' HG23 ' C' ' 38' ' ' VAL . 85.8 mt -63.0 -47.4 92.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.17 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.19 -52.42 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.27 83.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 76.0 mt -65.1 -44.97 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . 0.403 HG23 ' O ' ' C' ' 34' ' ' ILE . 65.0 t -58.93 -46.2 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.248 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.49 -40.71 97.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.97 -41.61 90.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.223 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -55.96 -43.32 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.72 89.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.61 -39.96 94.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -69.09 -45.96 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.66 -40.74 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -59.14 -40.49 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.246 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.23 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.46 -45.73 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.44 -53.48 57.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.25 -39.22 78.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.16 -48.06 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.57 -44.48 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.23 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -63.96 -39.79 94.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.61 -43.02 99.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.09 -38.38 82.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.92 94.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.1 -37.36 87.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.296 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.26 -43.17 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.72 -46.64 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -66.44 -37.21 84.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.43 -46.5 89.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 172.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.24 -37.25 79.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -58.13 -47.26 83.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.42 85.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.25 -45.32 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.246 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.28 -43.46 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.13 -39.77 93.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.63 -37.95 83.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.128 175.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.63 -44.04 71.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -60.47 -38.31 83.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.62 -25.49 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 45.5 pt -112.14 23.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 -173.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.97 22.01 56.12 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 159.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 37.8 t -64.1 143.92 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 111.205 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -43.6 129.57 5.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.25 -45.28 93.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.29 -46.5 88.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.212 -172.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.94 -43.54 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.218 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.53 -43.22 99.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.69 -41.45 97.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.16 -39.45 94.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 77.2 mtm -67.36 -38.75 85.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.271 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.91 -40.32 97.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.27 -38.84 90.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -62.0 -38.27 87.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.86 -35.57 74.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.267 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.3 -40.64 97.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.281 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.37 -42.57 99.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.22 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 54.0 mt -62.91 -42.57 99.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -59.11 -46.1 89.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.39 -37.47 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.222 178.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 34.0 t -64.27 -42.08 96.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.2 -24.15 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 -175.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.72 -29.38 66.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -95.6 -47.16 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.984 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p -67.2 -17.53 64.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.797 0.332 . . . . 0.0 111.222 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 -66.64 -13.2 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -173.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.26 -23.95 64.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.244 174.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.09 -30.56 5.97 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -75.92 -40.05 54.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 111.222 -175.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.59 -38.06 89.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.224 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.19 -46.9 75.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -55.79 -51.16 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.225 173.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.2 m -61.99 -39.76 93.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.566 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.4 tm? -66.13 -47.65 73.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.244 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.34 -36.91 85.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.0 -37.79 78.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 174.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.08 -43.86 95.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.202 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.89 -46.18 82.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.17 174.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -55.26 -46.02 76.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.79 -43.79 97.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 tp -55.53 -49.44 72.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.188 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.38 -40.79 92.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.198 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.6 -39.22 91.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.09 -49.96 75.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.282 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.55 -40.62 97.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.254 -175.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.29 -41.35 81.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.43 80.01 34.36 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.272 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.62 134.56 62.86 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.62 1.547 . . . . 0.0 111.226 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -164.95 156.26 14.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.237 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.04 -38.61 79.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.02 -51.25 70.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -65.43 -34.34 78.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.47 -48.83 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 177.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.01 -43.83 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.245 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.99 -37.86 89.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.225 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.53 -47.07 87.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 174.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.36 -46.63 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.207 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.29 -53.45 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.172 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.82 83.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.89 -46.38 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.06 -45.58 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.05 -41.5 98.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.44 -50.52 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 174.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.66 -39.99 90.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.58 -42.37 82.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.01 -36.59 80.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.78 -48.21 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.79 -41.31 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.253 -176.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.81 -39.28 93.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 175.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.05 93.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.91 -44.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -64.92 -46.65 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.33 98.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 93.5 mt -67.63 -51.84 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.47 -43.3 94.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.249 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.89 -41.78 99.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -61.83 -41.95 98.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.261 175.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.65 -39.41 93.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.165 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.58 90.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.287 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -66.01 -37.26 85.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.206 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.7 mt -61.55 -42.5 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.03 -45.38 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.2 -39.06 93.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.224 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -57.92 -45.33 86.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.27 -36.03 76.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.265 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -59.72 -45.74 91.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.227 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.92 77.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.189 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.59 -41.95 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.5 -43.58 91.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.11 -39.93 87.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.158 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.67 98.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.225 174.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.3 -40.49 96.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -64.98 -37.27 87.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -36.77 76.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.224 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.0 mm -74.06 -40.14 51.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.184 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.82 41.35 0.85 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.24 140.2 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.724 0.297 . . . . 0.0 111.169 169.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -41.55 127.31 3.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.69 -34.88 73.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.238 -174.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.26 -47.99 80.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.65 -43.64 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.41 -45.39 80.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -64.9 -37.0 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.71 -45.75 85.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 175.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.51 -36.62 83.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.5 -40.87 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.15 -44.67 87.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -56.13 -43.47 78.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -73.17 -39.27 65.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.186 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.07 -46.4 82.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.15 -41.42 99.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.198 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.64 -44.02 87.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -58.24 -43.55 87.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.266 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.15 -46.33 87.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 t -59.69 -40.18 87.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt -86.53 -0.85 56.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.256 -174.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -59.9 130.53 47.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -82.3 151.53 26.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.992 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 175.518 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -67.18 -17.55 64.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.862 0.363 . . . . 0.0 111.203 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -66.58 -13.19 60.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.185 -173.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.33 -23.9 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.221 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.12 -30.47 5.99 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -75.92 -40.14 54.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -175.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.59 -38.05 89.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.14 -46.99 75.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.226 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -55.79 -51.13 68.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -62.06 -39.74 93.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.182 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.564 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.4 tm? -66.11 -47.68 73.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.265 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.33 -36.93 85.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.08 -37.76 78.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.1 -43.87 95.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.87 -46.16 82.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.188 174.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -55.22 -46.09 75.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.74 -43.77 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.0 tp -55.55 -49.37 72.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.42 -40.81 92.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.58 -39.25 91.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.03 -50.05 74.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.61 -40.52 97.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.259 -175.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.26 -41.54 80.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.29 80.05 34.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.236 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -54.66 134.55 62.92 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.704 1.602 . . . . 0.0 111.22 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -164.99 156.24 14.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.251 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.07 -38.57 79.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.98 -51.26 70.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -65.4 -34.41 78.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.5 -48.87 85.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.02 -43.79 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.09 -37.84 88.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.08 87.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.266 174.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.37 -46.68 96.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.23 -53.47 43.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.178 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.83 83.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.88 -46.36 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.7 t -62.03 -45.67 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.223 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -61.96 -41.54 98.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.46 -50.55 73.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.261 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.62 -39.95 90.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.46 82.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.231 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.0 -36.49 80.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.84 -48.22 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.8 -41.35 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.78 -39.23 93.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.06 93.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.98 -44.55 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.99 -46.63 80.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.23 98.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.183 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.9 mt -67.71 -51.77 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -176.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.45 -43.35 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 -176.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.95 -41.71 99.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.94 -41.96 98.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.56 -39.46 93.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.57 90.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.275 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.94 -37.39 85.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 82.9 mt -61.47 -42.53 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.224 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.95 -45.43 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.25 -39.01 93.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -57.89 -45.33 86.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.38 -36.03 77.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -59.67 -45.78 91.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.94 77.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.206 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.64 -41.87 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.51 -43.53 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.18 -39.84 87.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.71 98.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.28 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.25 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -64.97 -37.21 86.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.72 -36.67 77.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.171 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 40.1 mm -74.13 -40.09 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.81 41.27 0.86 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.17 140.17 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.178 169.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -41.5 127.3 3.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.143 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.7 -34.88 73.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.26 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.25 -47.97 80.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.72 -43.56 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.257 177.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.37 -45.49 79.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -175.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.78 -37.1 86.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.65 -45.74 85.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.46 -36.69 83.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.33 -40.99 88.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.178 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.08 -44.82 87.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -56.11 -43.36 78.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -73.28 -39.28 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.0 -46.48 82.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.06 -41.44 99.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.23 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.71 -44.0 87.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -58.14 -43.73 87.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.07 -46.29 88.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.254 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 43.4 t -59.73 -40.23 87.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 77.6 mt -86.5 -0.81 56.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.258 -174.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.0 130.54 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.187 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -82.33 151.61 26.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.005 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 175.705 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -67.2 -17.55 64.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 0.0 111.158 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -66.52 -13.21 60.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 -173.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.4 -23.81 64.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.232 174.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.14 -30.45 6.0 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.01 -40.06 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.746 0.308 . . . . 0.0 111.113 -175.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.63 -38.0 89.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.236 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.21 -46.96 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.213 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -55.8 -51.16 68.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 174.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -62.06 -39.62 93.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.56 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.4 tm? -66.19 -47.65 73.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.238 -176.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -65.35 -36.88 85.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.09 -37.73 78.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.1 -43.88 95.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.86 -46.26 81.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 174.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.21 -46.02 75.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.235 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.7 -43.8 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 tp -55.56 -49.41 72.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.188 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.34 -40.85 92.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.6 -39.23 91.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 175.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.01 -50.03 75.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.62 -40.6 97.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.25 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.25 -41.39 81.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.39 80.02 34.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.265 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -54.6 134.57 62.79 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 121.643 1.562 . . . . 0.0 111.183 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.4 p -164.97 156.26 14.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.02 -38.64 79.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.257 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.98 -51.25 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.207 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.234 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.41 -48.9 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.07 -43.68 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.255 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.11 -37.82 88.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.07 87.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.41 -46.63 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.17 -53.6 41.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.75 -37.79 82.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.327 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.99 -46.29 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.06 -45.62 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.97 -41.55 98.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.42 -50.52 73.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.272 174.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.64 -40.01 90.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.176 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.47 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.221 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.01 -36.47 80.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.83 -48.17 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.85 -41.38 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -176.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.78 -39.26 93.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 175.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -39.09 93.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.91 -44.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.9 -46.65 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.32 98.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 93.4 mt -67.69 -51.7 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 -176.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.54 -43.24 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -41.67 99.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.245 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.94 -41.98 98.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.46 -39.5 93.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.56 90.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 176.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.94 -37.32 85.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.243 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.49 -42.52 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.05 -45.32 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.23 -39.07 93.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -57.9 -45.24 86.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.44 -36.04 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.137 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -59.61 -45.87 90.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.87 77.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 177.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.62 -41.91 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.49 -43.56 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.13 -39.88 87.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.31 -40.52 96.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -64.94 -37.31 87.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.81 76.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.235 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 39.8 mm -74.06 -40.08 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.79 41.26 0.86 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.2 140.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 169.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -41.56 127.31 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.78 -34.79 73.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.228 -174.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.27 -47.96 80.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.69 -43.64 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.255 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.36 -45.45 80.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -175.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.87 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.84 -45.57 86.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 175.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.54 -36.67 83.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.46 -40.9 88.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.01 -44.9 87.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -56.1 -43.43 78.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.14 -39.29 65.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.02 -46.52 82.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.07 -41.41 99.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.25 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.66 -44.04 87.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -58.12 -43.7 87.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.267 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.03 -46.49 87.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 43.2 t -59.59 -40.22 86.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 77.9 mt -86.51 -0.84 56.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 -174.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -59.97 130.6 47.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -82.38 151.55 26.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.993 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.59 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.815 0.34 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.61 -53.42 46.22 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.23 -37.45 85.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.687 0.279 . . . . 0.0 111.141 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.69 -50.3 69.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.199 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.86 -45.12 95.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.194 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.9 -49.97 73.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.24 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -61.27 -32.67 72.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.2 tm? -62.09 -45.93 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.281 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.81 -36.76 84.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -67.3 -37.38 83.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.04 -43.55 95.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.35 -45.49 80.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.256 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.84 -43.81 77.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.2 -44.46 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.293 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.9 tp -55.05 -48.71 73.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.55 -40.66 88.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.24 -39.35 89.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 175.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.26 -49.95 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.1 -40.57 94.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.87 -38.91 92.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.97 83.73 8.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.247 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -55.59 135.63 70.23 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.75 1.633 . . . . 0.0 111.198 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -162.79 156.41 20.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.258 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.62 -38.36 77.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.19 -51.81 68.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.237 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.88 -33.84 76.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.5 -49.18 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.1 t -64.4 -43.57 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.2 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.04 -38.13 89.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.09 87.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.67 -46.57 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.73 -54.19 31.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.25 83.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.4 mt -64.15 -46.27 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.97 -43.99 99.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.24 -41.32 96.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.06 -42.59 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 174.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -58.2 -37.14 74.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.13 82.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -73.71 -34.87 65.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.293 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.425 HG23 HD11 ' C' ' 48' ' ' ILE . 63.4 mt -60.52 -46.93 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.239 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.69 -46.35 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -67.25 -38.02 84.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -174.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.0 -34.86 75.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.419 HD11 HG23 ' B' ' 44' ' ' ILE . 74.4 mt -65.2 -48.96 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 170.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -62.27 -51.19 68.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.227 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.58 -37.53 75.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.99 -44.67 95.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.178 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.47 -43.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.84 -40.64 98.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.72 -39.63 93.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.4 HD21 HG23 ' B' ' 51' ' ' ILE . 99.6 m-20 -61.21 -39.55 90.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 177.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.62 -39.08 79.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.46 -40.55 89.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.95 -44.72 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.28 -41.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.27 -38.72 90.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.51 -40.43 96.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -61.8 -39.49 91.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.37 -41.1 96.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 175.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -37.21 85.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.3 mt -63.67 -41.73 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -55.81 -43.8 75.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.189 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.61 -46.84 87.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.232 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.36 81.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.41 -47.85 71.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.76 -33.62 74.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.02 -32.67 66.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.456 HD12 ' C ' ' A' ' 72' ' ' ILE . 2.8 pp -113.28 20.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -173.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.5 44.62 5.49 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 159.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.1 t -80.91 136.55 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.751 0.31 . . . . 0.0 111.2 166.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.58 124.49 16.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.6 -24.29 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.244 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.41 -32.48 39.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.281 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 97.1 mt -86.81 -47.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.9 mt -67.68 -39.54 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -170.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.38 -35.18 78.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.26 -172.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -68.09 -37.85 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.3 mtm -67.27 -37.43 83.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.91 -40.83 85.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.47 -44.86 95.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.21 -43.12 74.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.27 -37.52 85.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.29 -51.82 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -69.07 -38.43 79.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.01 -50.13 75.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.26 -44.69 72.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -54.62 -39.87 68.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.4 p -76.66 -10.55 59.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 -174.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.227 -179.088 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.822 0.344 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.74 -53.42 46.31 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.12 -37.48 85.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.188 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 36.5 tp -63.72 -50.23 69.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.97 -45.04 95.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -56.9 -50.05 73.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.3 m -61.22 -32.62 72.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.221 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.488 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.2 tm? -62.14 -45.92 91.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.82 -36.78 84.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.222 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -67.23 -37.39 83.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.302 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.01 -43.65 95.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -56.36 -45.42 80.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.244 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.87 -43.79 77.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.3 -44.37 99.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.294 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.07 -48.76 73.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.59 -40.52 87.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.226 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.36 -39.31 89.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 175.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.24 -49.98 75.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.01 -40.65 95.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.268 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.83 -38.88 92.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.257 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.97 83.7 8.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.227 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -55.61 135.64 70.31 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.751 1.634 . . . . 0.0 111.22 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -162.83 156.39 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.238 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.55 -38.44 77.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.237 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -51.88 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.231 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.85 -33.92 76.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -176.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.45 -49.27 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.8 t -64.34 -43.56 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.214 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.99 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.08 87.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.69 -46.61 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.63 -54.34 28.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.12 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.266 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.27 -46.23 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.2 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.93 -44.07 99.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.12 -41.35 96.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.06 -42.7 99.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.192 174.191 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -58.01 -37.25 73.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.04 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -73.82 -34.9 64.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.419 HG23 HD11 ' A' ' 48' ' ' ILE . 63.3 mt -60.48 -46.96 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.7 -46.37 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.19 -38.09 84.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -174.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.94 76.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.427 HD11 HG23 ' C' ' 44' ' ' ILE . 74.1 mt -65.21 -48.85 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 170.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -62.36 -51.22 68.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.44 75.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.4 HG23 HD21 ' A' ' 55' ' ' ASN . 68.1 mt -59.94 -44.72 95.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.52 -43.54 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.85 -40.69 98.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.62 -39.65 94.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.229 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.403 HD21 HG23 ' C' ' 51' ' ' ILE . 99.5 m-20 -61.18 -39.54 90.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.226 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.03 79.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.223 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.54 -40.38 89.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 176.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.01 -44.75 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.29 -41.2 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.29 -38.72 90.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.188 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.51 -40.46 96.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.35 -41.0 96.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.16 85.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.82 -41.64 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 176.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -55.88 -43.7 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.174 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.76 -46.81 88.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.31 81.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.37 -47.93 71.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.74 -33.59 74.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.59 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.251 -175.108 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ILE . . . . . 0.453 ' C ' HD12 ' B' ' 72' ' ' ILE . 2.8 pp -113.38 20.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 -173.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.49 44.54 5.51 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 159.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.84 136.56 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 0.0 111.211 166.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.58 124.48 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.7 -24.15 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.55 -32.4 40.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 97.0 mt -86.88 -47.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.178 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.69 -39.58 84.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -170.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.41 -35.11 78.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.22 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -68.15 -37.84 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 50.4 mtm -67.24 -37.5 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -58.99 -40.75 85.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.52 -44.77 95.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.21 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.25 -43.11 74.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.24 -37.57 85.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -177.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.26 -51.86 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.186 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.0 -38.42 79.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 59.8 tp -59.08 -50.1 75.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.21 -44.78 71.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -54.59 -39.88 68.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -76.63 -10.66 59.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.211 -174.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.249 -179.137 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.806 0.336 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.66 -53.4 46.41 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.22 -37.45 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 111.191 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 36.6 tp -63.62 -50.28 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.212 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -61.91 -45.1 95.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.83 -50.03 73.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.226 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -61.27 -32.63 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.224 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.49 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.2 tm? -62.17 -45.85 91.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.262 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.89 -36.7 84.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.211 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -67.35 -37.37 83.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.05 -43.55 95.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -56.48 -45.37 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.264 174.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.88 -43.79 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.29 -44.44 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.257 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.99 -48.78 72.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.49 -40.64 87.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.31 -39.38 89.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.24 -49.97 75.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.11 -40.6 94.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.226 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.83 -38.85 92.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.279 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.99 83.7 8.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.217 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -55.61 135.58 70.02 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.758 1.638 . . . . 0.0 111.242 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.2 p -162.74 156.48 20.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.62 -38.39 77.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.307 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.11 -51.81 68.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.277 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.89 -33.9 76.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.39 -49.24 83.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.39 -43.59 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.97 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.02 88.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.65 -46.62 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.243 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.78 -54.16 31.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.48 -38.18 83.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.24 -46.17 94.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.02 -43.98 99.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.18 -41.33 96.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.08 -42.58 99.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.24 -37.14 74.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -177.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.22 82.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -73.7 -34.88 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.224 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.427 HG23 HD11 ' B' ' 48' ' ' ILE . 62.8 mt -60.54 -46.94 94.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.6 -46.4 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.19 -38.07 84.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -174.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.91 76.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' ILE . . . . . 0.425 HD11 HG23 ' A' ' 44' ' ' ILE . 74.1 mt -65.22 -48.93 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 170.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 -62.33 -51.19 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.51 -37.64 76.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 -175.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.403 HG23 HD21 ' B' ' 55' ' ' ASN . 68.3 mt -59.86 -44.72 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.54 -43.47 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.91 -40.64 98.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 176.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.71 -39.56 93.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.283 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -61.19 -39.55 90.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.249 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.06 79.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.273 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.61 -40.27 88.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.14 -44.65 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.34 -41.2 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.2 -38.71 90.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.61 -40.45 96.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -61.72 -39.57 91.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.242 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.3 -41.09 96.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.74 -37.15 85.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 79.1 mt -63.65 -41.76 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 32.9 mm -55.76 -43.81 75.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.246 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.66 -46.81 87.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.231 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.33 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.38 -47.93 71.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -61.68 -33.62 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.296 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.95 -32.74 66.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 72' ' ' ILE . . . . . 0.457 ' C ' HD12 ' C' ' 72' ' ' ILE . 2.8 pp -113.3 20.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -173.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.52 44.57 5.5 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 159.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 54.0 t -80.87 136.51 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.698 0.285 . . . . 0.0 111.258 166.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.55 124.46 16.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.181 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.61 -24.24 65.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.188 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.49 -32.49 40.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 97.0 mt -86.83 -47.51 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 84.6 mt -67.7 -39.57 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -170.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.39 -35.21 78.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.194 -172.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -68.06 -37.87 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 50.3 mtm -67.3 -37.43 83.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.98 -40.8 85.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.099 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.44 -44.88 95.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.157 176.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.21 -43.15 74.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.2 -37.58 85.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.18 -51.91 67.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.99 -38.37 79.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.11 -50.05 75.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.27 -44.73 72.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.216 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -54.65 -39.87 68.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -76.57 -10.6 59.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 -179.031 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.786 0.326 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.98 -62.08 6.48 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.83 -34.99 72.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.732 0.301 . . . . 0.0 111.175 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.05 -49.95 75.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.208 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.27 -44.29 95.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -55.93 -47.7 77.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 174.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t -57.2 -41.86 80.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.68 -32.76 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.1 -41.27 99.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.224 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -69.3 -36.7 77.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.211 174.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.2 -39.18 85.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 175.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.41 -48.02 77.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 173.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.89 -38.31 85.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.49 -44.96 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.207 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.2 tp -57.13 -45.43 83.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.51 -46.72 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.248 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -64.02 -39.56 94.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.24 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.3 tp -60.83 -47.59 85.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.84 -42.36 81.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.63 -42.49 74.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.215 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.08 79.91 30.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -54.16 136.09 66.7 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.746 1.631 . . . . 0.0 111.167 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -164.3 157.03 17.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.2 -36.41 73.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.82 -52.44 65.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -68.46 -34.18 75.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.27 -49.81 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.162 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.1 t -64.44 -44.25 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.77 -39.49 94.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.5 72.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.29 -45.01 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.37 -53.95 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.25 93.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.32 -42.99 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.1 t -59.29 -47.45 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.26 -39.26 93.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.234 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.38 -41.31 98.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.237 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -60.14 -40.25 89.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.91 95.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.84 -36.97 83.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.219 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.95 -52.22 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.247 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.6 -42.49 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 -174.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.54 -39.85 95.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.96 83.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 173.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -74.79 -41.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -174.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.31 -43.67 79.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.252 171.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.3 86.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.8 -44.24 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.16 -42.92 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.12 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.01 -38.33 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -61.79 -39.05 90.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.26 -39.16 89.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.34 -39.17 92.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 84.9 mt -62.42 -41.72 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.257 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.86 -50.34 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.64 -35.74 80.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.155 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.44 -50.2 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 171.03 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -57.77 -38.7 75.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.236 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.31 -53.46 57.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.88 82.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.68 -47.83 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.71 -42.18 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.9 -39.84 90.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.0 96.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.44 -37.47 80.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.249 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.43 -40.88 96.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 173.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.28 78.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -69.98 -25.93 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.236 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.44 53.79 1.05 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 167.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.95 167.35 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 111.17 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -52.4 127.83 23.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.82 -37.09 70.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -58.26 -52.0 67.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 -176.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.85 -40.88 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.4 tp -54.3 -47.62 72.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.59 -41.02 93.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.25 -44.59 96.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.0 mtm -61.99 -42.22 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.38 -39.3 92.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.2 -48.9 76.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.263 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -60.18 -35.99 76.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.58 -50.65 72.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.67 -44.22 86.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.95 -41.92 97.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.229 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.2 tp -65.79 -47.03 76.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -61.76 -42.89 99.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.61 -34.71 76.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.4 m -68.24 -16.07 63.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.253 -175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 -176.368 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 78.4 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.83 0.348 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.96 -62.15 6.4 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.7 -35.0 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.09 -49.98 75.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.23 -44.32 95.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -55.9 -47.74 76.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t -57.2 -41.82 80.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.71 -32.82 74.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.07 -41.23 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -69.36 -36.72 77.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 174.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.2 -39.12 85.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.48 -47.99 78.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 173.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.9 -38.29 85.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.5 -44.94 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.219 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.12 -45.46 83.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.61 -46.66 77.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.91 -39.63 94.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.275 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 tp -60.83 -47.54 85.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.249 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.93 -42.32 81.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.62 -42.49 74.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -138.07 79.89 30.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -54.18 136.09 66.84 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.668 1.579 . . . . 0.0 111.205 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 92.7 p -164.25 157.06 17.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.24 -36.37 73.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.9 -52.43 65.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -68.36 -34.24 75.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.25 -49.77 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.224 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.53 -44.2 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.77 -39.49 94.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.46 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 88.3 mt -62.29 -45.0 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.4 -53.97 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.247 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.33 93.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.28 -43.03 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.25 -47.46 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.34 -39.23 93.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.32 -41.34 98.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.266 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.12 -40.28 89.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.95 95.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.195 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.82 -36.94 83.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.07 -52.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 48.1 t -61.57 -42.53 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.56 -39.9 95.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.179 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.99 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 173.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -74.75 -41.28 47.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 -174.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.33 -43.72 79.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.203 171.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.36 85.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.203 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.7 -44.31 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.13 -42.92 95.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.229 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.15 -39.36 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.215 175.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.05 -38.34 90.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -61.78 -39.05 90.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.13 89.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.286 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.35 -39.16 91.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.5 -41.73 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.86 -50.35 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -66.57 -35.81 81.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.198 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.36 -50.2 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 171.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -57.74 -38.78 75.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.16 -53.48 56.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.81 82.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 71.9 mt -61.76 -47.83 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.68 -42.18 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.92 -39.82 90.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.98 96.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.255 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.42 -37.54 80.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.203 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -61.39 -40.86 95.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.25 78.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -70.01 -25.93 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.48 53.73 1.05 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 167.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 31.5 m -75.92 167.35 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 111.196 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ASP . . . . . 0.402 ' OD2' ' NZ ' ' B' ' 77' ' ' LYS . 20.1 t0 -52.42 127.89 23.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.244 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.87 -37.06 70.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.217 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.402 ' NZ ' ' OD2' ' B' ' 75' ' ' ASP . 38.4 mtmm -58.21 -52.12 66.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -176.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.76 -40.92 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 64.5 tp -54.32 -47.59 72.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.61 -40.97 93.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.231 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.21 -44.62 96.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 177.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.06 -42.23 98.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.176 -178.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -62.28 -39.38 92.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.274 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.21 -48.87 76.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.231 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.17 -36.05 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.56 -50.64 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.67 -44.28 86.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.91 -41.9 97.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.82 -47.02 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.221 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -61.79 -42.87 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.6 -34.74 76.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 70.1 m -68.21 -16.09 63.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -175.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -176.357 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.89 0.376 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.96 -62.13 6.42 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.73 -35.04 72.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 111.186 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.07 -49.96 75.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -60.24 -44.34 95.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -55.88 -47.73 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 46.7 t -57.12 -41.88 79.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 46.8 mt -64.72 -32.77 74.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.01 -41.38 99.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -69.24 -36.7 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.232 174.15 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.16 -39.22 85.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 175.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.41 -48.02 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.87 -38.3 85.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.48 -45.01 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.185 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.09 -45.49 83.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.54 -46.74 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.231 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -63.92 -39.64 94.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.255 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 tp -60.77 -47.54 85.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.267 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.91 -42.32 81.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -176.522 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.61 -42.54 74.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.196 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.1 79.89 30.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -54.17 136.15 66.97 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.69 1.593 . . . . 0.0 111.203 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -164.32 157.03 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.27 -36.37 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -60.86 -52.41 65.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -68.38 -34.24 75.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.25 -49.8 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.47 -44.25 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.76 -39.48 94.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.5 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.25 -45.05 99.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.221 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.45 -53.92 20.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.35 93.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.27 -42.98 97.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.27 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 68.3 t -59.29 -47.46 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.31 -39.22 93.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.39 -41.27 98.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.232 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.11 -40.26 89.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.95 95.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.222 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.79 -36.98 83.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.204 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.01 -52.21 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.241 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.47 -42.57 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 -174.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.54 -39.84 95.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.94 83.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 173.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 78.3 mt -74.8 -41.31 47.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -174.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.32 -43.67 79.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.27 -42.23 86.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.76 -44.32 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.08 -42.99 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.14 -39.35 94.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.199 175.364 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.13 -38.23 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -61.81 -39.07 90.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.232 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.18 89.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.253 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.27 -39.15 92.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.42 -41.81 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.232 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.75 -50.43 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.59 -35.76 80.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.169 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.4 -50.14 74.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.169 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -57.79 -38.74 76.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.21 -53.48 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.8 82.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 71.9 mt -61.73 -47.83 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.66 -42.2 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.92 -39.81 90.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.02 96.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.198 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.44 -37.49 80.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.183 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.47 -40.8 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 173.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.27 78.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -70.0 -25.88 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.4 53.75 1.05 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 167.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 31.2 m -75.92 167.33 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.212 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -52.39 127.87 23.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.87 -37.04 70.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -58.32 -51.98 67.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -176.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.84 -40.89 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.199 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 64.5 tp -54.38 -47.56 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.66 -40.96 94.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.21 -44.59 97.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.05 -42.2 98.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.31 -39.33 92.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.304 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.19 -48.93 76.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.251 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.14 -36.03 76.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.52 -50.67 72.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.68 -44.21 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.98 -41.88 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.251 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.79 -47.1 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.188 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -61.75 -42.86 99.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.58 -34.79 76.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 70.6 m -68.2 -16.05 63.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.254 -175.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 -176.307 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.722 0.296 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.89 -33.75 84.67 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.83 -35.31 38.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 111.203 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.05 -40.68 96.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -64.94 -43.69 91.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -58.35 -47.72 82.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 174.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m -58.45 -40.88 83.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.243 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.87 -36.37 83.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -67.94 -42.6 80.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -70.11 -39.27 75.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.237 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.05 -44.74 96.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -57.95 -47.55 82.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 174.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.81 -45.53 70.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.22 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.39 -44.22 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.13 -48.03 74.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.169 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.08 -44.03 91.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.43 -38.51 91.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.195 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.93 -49.91 74.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.264 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.07 -41.22 95.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.32 -39.11 92.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.34 84.68 7.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.258 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -55.23 135.61 69.71 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.657 1.571 . . . . 0.0 111.228 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.9 p -162.96 156.9 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.26 -38.7 77.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.28 -51.62 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.66 -33.32 74.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.5 -49.14 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 177.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.61 -43.52 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.06 -39.71 95.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.257 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.63 -47.3 86.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 175.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.67 -47.07 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.3 -51.75 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.229 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.65 80.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.256 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.24 -45.58 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.95 -45.85 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.74 -42.01 97.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -59.67 -48.01 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.83 -41.05 85.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.05 93.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.3 -39.5 94.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.24 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.2 -47.44 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -70.59 -42.48 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -175.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.92 -36.59 83.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.35 -49.33 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.7 -22.98 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -173.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -46.34 -48.54 18.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.236 168.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.59 95.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.12 -47.01 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.265 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.55 -45.5 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.243 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.18 -39.94 96.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.223 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.5 -41.11 98.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -59.34 -41.74 89.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.41 90.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.03 -36.73 80.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.5 -42.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.24 -45.0 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.58 -38.86 92.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -58.93 -49.86 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.05 -37.73 77.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.22 -49.16 78.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.194 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.0 74.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.175 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.3 mt -65.51 -51.74 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.19 -25.19 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -173.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.41 -41.56 84.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 169.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.31 79.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.207 175.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.49 -43.74 96.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.246 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -58.57 -38.98 79.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.95 -27.4 65.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 pt -111.61 24.15 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -173.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 16.13 58.45 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 158.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.68 137.32 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.232 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -47.88 119.17 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -173.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -62.25 -32.8 73.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.195 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.21 -52.78 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.64 -42.06 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.209 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.45 -39.29 91.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.162 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -63.39 -36.99 85.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.26 -40.24 93.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 176.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 70.1 mtm -70.31 -36.72 74.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -56.48 -46.88 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.2 -49.99 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.21 176.183 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.34 -47.12 66.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.75 -40.87 92.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.221 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.45 -40.44 97.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.231 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.81 -40.49 97.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.298 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.94 -39.94 90.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.47 -40.76 79.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.8 -34.71 60.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.7 t -55.48 -42.13 73.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.275 -175.214 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.765 0.317 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.8 -33.81 84.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.71 -35.42 39.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 111.238 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.01 -40.69 96.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.263 175.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -64.97 -43.71 91.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.222 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -58.23 -47.81 82.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.249 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 57.7 m -58.41 -40.98 83.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.3 mt -63.85 -36.28 83.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.96 -42.68 80.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -70.05 -39.29 75.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.274 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.03 -44.64 96.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.02 -47.47 82.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -53.95 -45.48 71.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.29 -44.28 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.175 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 62.8 tp -55.15 -47.98 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.185 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.14 -43.99 92.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.207 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.45 -38.51 91.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 176.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.87 -50.0 73.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.07 -41.18 95.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.3 -39.14 92.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.35 84.68 7.73 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.232 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -55.19 135.53 69.3 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.741 1.628 . . . . 0.0 111.195 -178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.8 p -162.97 156.83 20.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.18 -38.72 77.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.221 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.2 -51.65 69.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.69 -33.3 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.222 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.48 -49.1 84.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.166 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 72.9 t -64.65 -43.5 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.254 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.12 -39.58 95.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.7 -47.27 86.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.249 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.68 -47.05 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.249 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.29 -51.83 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.71 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.26 -45.57 93.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.82 -45.91 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.8 -41.98 97.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.58 -48.06 83.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.78 -41.1 85.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.07 92.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.241 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.25 -39.58 94.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.255 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.2 -47.32 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.269 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 76.4 t -70.71 -42.45 77.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 -175.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.95 -36.6 83.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.26 -49.35 19.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.71 -22.94 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 -173.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -46.31 -48.58 18.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 168.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.6 95.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.14 -46.93 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.236 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.58 -45.56 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.13 -39.96 96.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -63.5 -41.14 98.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.207 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -59.32 -41.8 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.36 90.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.05 -36.81 80.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.48 -42.49 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.32 -44.92 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.68 -38.84 92.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.89 -49.84 76.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.197 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.11 -37.69 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.24 -49.18 78.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.09 -36.02 74.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.265 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 88.5 mt -65.45 -51.8 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.303 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 39.9 pt -72.11 -25.22 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.2 -173.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.43 -41.49 84.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 169.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.13 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.239 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.55 -43.69 96.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.24 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -58.53 -39.08 79.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.38 65.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 pt -111.63 24.14 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 16.16 58.41 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 158.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.75 137.29 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.172 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -47.82 119.16 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -173.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.38 -32.71 73.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -173.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.24 -52.81 63.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -174.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.71 -41.98 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.46 -39.28 91.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -63.46 -37.05 85.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.16 -40.28 93.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.236 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.1 mtm -70.23 -36.8 74.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.41 -46.9 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.17 -49.97 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.263 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.34 -47.14 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.75 -40.84 92.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.261 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.41 -40.57 97.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.73 -40.62 97.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.19 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 83.4 mt -65.87 -39.97 91.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.5 -40.68 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.91 -34.57 59.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.253 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 37.4 t -55.51 -42.18 74.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 -175.165 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.764 0.316 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.93 -33.69 84.59 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.86 -35.23 38.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 111.263 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.07 -40.72 96.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -64.83 -43.8 91.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -58.26 -47.78 82.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 174.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -58.41 -40.99 83.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.238 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.8 -36.34 83.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -67.91 -42.67 80.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.236 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -70.1 -39.29 75.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.01 -44.72 96.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.283 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -57.98 -47.43 83.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.186 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.89 -45.6 71.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.32 -44.2 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.15 -48.01 74.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.203 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.1 -43.97 91.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.44 -38.56 91.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.88 -49.96 74.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.02 -41.21 95.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -176.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.25 -39.2 92.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.34 84.7 7.73 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.255 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -55.21 135.59 69.61 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.677 1.585 . . . . 0.0 111.247 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.1 p -162.97 156.85 20.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.22 -38.66 77.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.202 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.23 -51.74 68.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.63 -33.29 74.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.44 -49.11 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.72 -43.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.191 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.17 -39.61 95.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -47.18 86.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.77 -47.02 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.3 -51.76 61.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.71 80.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.18 -45.61 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -58.92 -45.86 91.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.75 -42.11 97.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -59.41 -48.15 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -58.79 -41.04 85.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.03 93.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.27 -39.5 94.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.252 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.27 -47.4 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -70.62 -42.44 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -175.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.98 -36.56 83.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.32 -49.35 19.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.68 -23.09 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 -173.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -46.2 -48.64 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.221 168.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.65 95.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.18 -46.97 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.53 -45.54 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.11 -40.0 96.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.57 -41.13 98.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -59.28 -41.75 89.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.43 90.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -67.99 -36.78 80.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 83.8 mt -62.44 -42.5 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.3 -44.97 96.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.58 -38.86 92.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.91 -49.82 76.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.09 -37.7 77.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.32 -49.17 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.88 74.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.59 -51.74 59.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.231 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.16 -25.21 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.36 -41.59 84.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 169.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.22 78.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.244 175.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.6 -43.71 96.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -58.45 -39.11 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.213 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.95 -27.26 65.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 43.7 pt -111.69 24.19 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 -173.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.92 16.02 58.59 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 159.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.62 137.26 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -47.8 119.14 2.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 -173.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.3 -32.83 73.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.15 -52.8 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 -174.131 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.81 -41.96 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.44 -39.28 91.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -63.5 -36.97 85.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.24 -40.21 93.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.199 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 70.2 mtm -70.26 -36.79 74.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.241 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.35 -46.97 79.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.18 -49.96 73.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.236 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.36 -47.18 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.68 -40.86 92.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.243 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.43 -40.59 97.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.79 -40.48 97.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.248 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 83.3 mt -65.93 -39.95 90.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.47 -40.78 79.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.7 -34.77 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 38.1 t -55.46 -42.14 73.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.235 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.272 -175.205 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.793 0.33 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.32 -28.66 69.69 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -74.05 -40.03 63.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 111.215 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.99 -42.28 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 175.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' A' ' 12' ' ' GLU . 64.8 tttm -59.52 -49.57 77.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.22 -48.24 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.282 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -59.14 -42.38 90.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.69 -40.43 94.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 98.4 mt-10 -62.79 -41.49 99.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.199 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.21 -37.68 75.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.48 -47.12 87.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.21 -37.02 82.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.248 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.24 -49.93 74.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.19 -41.96 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 tp -53.94 -51.14 64.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.51 -40.09 81.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.77 -41.03 97.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 176.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.3 -42.8 92.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.82 -35.53 76.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -80.17 -48.95 12.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.27 83.54 17.52 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.256 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -56.53 143.21 88.89 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.703 1.602 . . . . 0.0 111.185 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.4 p -160.47 150.0 17.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.279 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.72 -39.28 80.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -58.31 -52.97 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.242 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.9 -29.97 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.282 -174.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.03 -46.49 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.17 -40.86 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.227 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.26 -39.94 92.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.18 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.5 -44.14 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -49.95 -52.48 33.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.39 96.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.155 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.57 -46.7 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.183 -177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.16 -46.93 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -69.93 -34.92 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.13 -47.39 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.04 -41.58 88.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.82 94.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.75 -42.44 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.07 -54.42 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.3 t -59.92 -46.9 93.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -172.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -66.35 -34.83 78.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.29 -55.03 13.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 pt -67.42 -24.96 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -171.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -57.54 -38.01 74.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.67 71.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.193 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.95 -43.8 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.176 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.21 -46.23 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.58 -42.26 98.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -71.39 -31.13 66.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.481 HD22 ' HA ' ' A' ' 55' ' ' ASN . 7.6 m120 -59.72 -52.17 66.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 174.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.84 -37.2 73.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.16 -52.55 26.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.25 -31.35 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.206 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.03 -48.05 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.255 175.115 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -60.02 -35.44 75.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.229 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -57.34 -29.32 63.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.222 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.82 -26.81 68.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.55 -47.73 83.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.11 88.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.16 -46.53 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.8 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.218 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.84 -40.23 94.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.96 97.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.276 175.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.3 mt -67.3 -36.33 81.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.266 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.84 -40.78 95.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.11 -46.99 84.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.241 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.5 tp -70.8 -25.98 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.271 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.04 55.59 1.12 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 166.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.2 m -80.19 169.12 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.191 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -54.77 125.55 20.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -176.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.81 -32.25 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.243 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.11 -23.26 65.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -175.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.6 mm -90.22 -39.14 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.25 -41.02 87.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.252 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.2 -40.58 90.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -71.08 -43.2 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.191 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.2 -38.7 92.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.174 -177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.96 -39.07 93.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.39 -41.22 93.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.55 -38.9 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.41 -51.46 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.15 -39.15 93.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.25 -40.62 74.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.4 mt -59.68 -43.62 93.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.68 -41.24 96.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.49 -43.99 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.0 t -72.07 -55.35 7.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 -169.326 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.849 0.357 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.37 -28.58 69.62 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -74.1 -40.09 62.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.99 -42.23 97.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.411 ' NZ ' ' OE2' ' B' ' 12' ' ' GLU . 64.8 tttm -59.54 -49.63 77.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -54.1 -48.28 70.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.303 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -59.27 -42.32 90.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.74 -40.33 94.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.276 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.411 ' OE2' ' NZ ' ' B' ' 8' ' ' LYS . 98.4 mt-10 -62.88 -41.44 99.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.26 -37.61 74.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.172 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.46 -47.14 87.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.2 -37.09 83.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.18 -49.95 74.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.22 -41.97 92.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 tp -53.94 -51.13 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.46 -40.15 81.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.83 -41.05 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.29 -42.79 92.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.8 -35.58 76.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -80.2 -48.89 12.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.244 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.26 83.5 17.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -56.48 143.26 88.2 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.64 1.56 . . . . 0.0 111.208 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -160.53 150.03 17.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.301 175.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.8 -39.17 80.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.46 -52.88 63.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -71.91 -29.92 64.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.254 -174.113 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.11 -46.46 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.7 t -64.29 -40.77 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.28 -39.91 92.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.21 82.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 90.9 mt -60.44 -44.12 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -49.95 -52.49 33.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.229 175.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.36 97.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 80.8 mt -64.56 -46.66 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.16 -46.81 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -70.05 -34.95 73.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.02 -47.47 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.08 -41.53 88.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.85 94.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.76 -42.4 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.4 ' O ' HG12 ' B' ' 48' ' ' ILE . 93.3 mt -62.05 -54.57 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.186 178.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.86 -46.93 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 -172.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -66.27 -34.94 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.11 -55.17 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.4 HG12 ' O ' ' B' ' 44' ' ' ILE . 37.6 pt -67.35 -24.98 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -171.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -57.5 -38.02 73.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.63 71.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.283 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.98 -43.77 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.4 t -58.13 -46.33 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.62 -42.2 98.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.39 -31.19 67.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASN . . . . . 0.442 ' HA ' HD22 ' B' ' 55' ' ' ASN . 7.6 m120 -59.61 -52.22 66.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 174.07 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.24 73.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.198 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.08 -52.58 27.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.2 -31.37 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.17 -47.94 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.256 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -60.0 -35.48 75.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.21 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.31 -29.33 63.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.9 -26.77 68.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.57 -47.69 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.222 175.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.09 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.24 -46.5 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.84 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.93 -40.19 94.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.93 97.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.267 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.38 -36.27 81.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.95 -40.79 95.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.0 -47.1 84.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.25 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 7.6 tp -70.8 -25.95 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.01 55.6 1.12 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 166.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 m -80.23 169.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 111.133 173.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -54.76 125.56 20.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.88 -32.22 67.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.19 -23.13 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 -175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 45.3 mm -90.21 -39.21 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.12 -41.14 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.28 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.12 -40.61 90.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.244 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -71.11 -43.23 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.222 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.15 -38.69 92.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.92 -39.14 93.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.43 -41.12 93.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.6 -38.8 90.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 58.6 tp -58.46 -51.44 69.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.11 -39.21 94.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.201 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.15 -40.7 74.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 41.4 mt -59.69 -43.54 94.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.78 -41.15 96.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.255 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.52 -44.0 72.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.248 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 42.9 t -72.07 -55.35 7.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -169.388 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.876 0.369 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.36 -28.61 69.66 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -74.08 -39.98 63.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 111.243 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.05 -42.25 97.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.248 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' LYS . . . . . 0.427 ' NZ ' ' OE2' ' C' ' 12' ' ' GLU . 64.7 tttm -59.51 -49.56 77.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.195 177.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.3 -48.19 71.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -59.26 -42.27 90.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.7 -40.36 94.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.304 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' GLU . . . . . 0.427 ' OE2' ' NZ ' ' C' ' 8' ' ' LYS . 98.4 mt-10 -62.93 -41.44 99.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.24 -37.65 75.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.41 -47.15 87.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -67.17 -37.09 83.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.2 -49.99 74.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.21 -41.9 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 40.9 tp -53.93 -51.14 64.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.54 -40.05 81.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.73 -41.06 97.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 176.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.5 mt -65.34 -42.76 92.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.92 -35.51 76.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -80.13 -48.87 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.318 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.3 83.53 17.47 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.232 -174.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -56.53 143.29 88.58 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.623 1.549 . . . . 0.0 111.273 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 87.5 p -160.51 150.05 17.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.268 175.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.79 -39.18 80.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.243 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -58.44 -52.88 63.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.94 -29.92 64.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.274 -174.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.09 -46.52 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 65.5 t -64.22 -40.78 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.21 -39.95 92.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.07 83.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.51 -44.14 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -49.97 -52.53 32.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.41 96.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 80.1 mt -64.6 -46.7 91.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.16 -46.85 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -177.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -70.03 -34.91 73.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.07 -47.4 85.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 173.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.1 -41.46 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.82 94.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.8 -42.39 99.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.403 ' O ' HG12 ' C' ' 48' ' ' ILE . 93.2 mt -62.06 -54.59 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.88 -46.86 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -172.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.31 -34.86 78.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.26 -55.1 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 177.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' ILE . . . . . 0.403 HG12 ' O ' ' C' ' 44' ' ' ILE . 37.6 pt -67.34 -25.02 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 -171.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -57.56 -37.93 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.63 71.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.236 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.94 -43.79 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.2 -46.29 88.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.54 -42.23 98.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.205 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.41 -31.17 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 55' ' ' ASN . . . . . 0.472 HD22 ' HA ' ' C' ' 55' ' ' ASN . 7.6 m120 -59.63 -52.22 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.226 174.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.16 73.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.13 -52.59 26.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.224 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.24 -31.35 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -66.2 -47.95 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -59.93 -35.56 75.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -57.24 -29.41 63.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.223 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.82 -26.74 68.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.6 -47.82 83.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.05 87.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.281 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.25 -46.54 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.76 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.84 -40.16 94.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.92 97.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 175.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.33 -36.3 81.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.89 -40.82 95.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 175.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.1 84.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.234 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 7.5 tp -70.66 -26.06 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.262 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.11 55.62 1.11 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 166.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 21.1 m -80.22 169.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 111.142 173.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -54.74 125.6 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 -176.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.93 -32.18 67.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.205 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.1 -23.28 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 45.4 mm -90.18 -39.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.206 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 84.2 mt -59.26 -41.01 87.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.25 -40.51 90.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -71.17 -43.12 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -176.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.28 -38.63 91.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.95 -39.15 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.188 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.41 -41.13 93.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.63 -38.85 90.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.42 -51.51 69.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.14 -39.17 93.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.31 -40.51 74.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.79 -43.52 94.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 175.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.74 -41.21 96.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.231 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.48 -44.06 72.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.229 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 42.7 t -71.98 -55.42 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.237 -169.4 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp . . . . . 0 CA--C 1.524 -0.053 0 CA-C-O 120.798 0.332 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.74 -32.08 80.38 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.51 -30.62 26.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 0.0 111.126 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.2 -46.37 89.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 172.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -54.05 -51.78 62.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.269 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -54.67 -46.97 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -56.62 -40.69 75.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 mt -69.44 -33.52 73.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.261 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.19 -40.19 95.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.274 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.04 -37.57 75.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.22 -38.0 82.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -60.09 -44.34 94.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.51 -38.39 84.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.91 -46.29 92.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 174.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.19 -47.28 81.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.16 -41.65 88.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.28 -40.66 96.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 174.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.15 -48.09 83.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.12 -43.1 88.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.247 -176.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.52 -39.29 88.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.67 85.6 7.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.2 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.29 136.54 73.97 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.795 1.663 . . . . 0.0 111.147 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.4 p -161.99 156.18 21.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.26 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.56 -38.8 78.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.75 -51.1 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.11 -32.72 72.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -175.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.15 -49.06 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.37 -43.46 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.13 -39.13 93.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -49.76 74.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.186 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.03 -45.92 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.189 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.03 -53.7 31.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.268 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.51 90.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.5 -44.53 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.0 t -59.46 -46.19 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.243 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.35 -38.96 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.57 -38.1 88.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.15 -38.89 84.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.294 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.77 95.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.4 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.78 -45.26 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.255 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.59 -42.65 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.92 -39.02 93.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.96 -41.37 99.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.262 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.89 -46.99 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.29 -43.01 64.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.48 80.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.501 HG21 HG21 ' B' ' 51' ' ' ILE . 29.5 mt -67.17 -44.44 87.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.22 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.39 -45.56 85.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.199 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -68.97 -43.55 74.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -54.78 -42.93 72.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -58.96 -44.65 91.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.211 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.8 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.02 -37.41 81.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.76 -42.41 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.8 t -57.55 -45.3 86.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -65.98 -36.42 83.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.89 -43.5 98.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -60.22 -39.93 88.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -58.36 -48.54 80.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.98 82.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.204 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.01 -46.65 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.29 -42.6 94.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.236 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.47 -39.75 92.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.08 98.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 174.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.93 -37.53 87.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.228 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.21 -42.22 96.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.43 -37.15 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.47 -44.58 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.259 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.94 40.13 0.92 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.3 t -63.58 142.85 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 171.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -37.86 131.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.211 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -56.55 -44.77 81.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.428 ' NZ ' ' OE2' ' A' ' 81' ' ' GLU . 66.0 tttm -58.72 -47.1 85.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 87.1 mt -59.02 -44.18 90.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.254 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.0 -44.02 97.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.242 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.41 -41.52 98.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.428 ' OE2' ' NZ ' ' A' ' 77' ' ' LYS . 97.1 mt-10 -61.37 -42.03 98.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.216 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.37 -40.3 89.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.24 -44.74 82.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.71 -43.05 94.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.93 -41.0 91.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.8 tp -68.49 -44.42 74.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.91 -39.77 93.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.56 -39.29 84.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.17 -44.49 97.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.09 -47.35 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.23 -36.9 81.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.305 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.9 p -72.1 -11.82 60.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.209 -177.625 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 CA--C 1.523 -0.082 0 CA-C-O 120.853 0.359 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.82 -32.05 80.44 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.39 -30.71 27.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.159 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.13 -46.31 89.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.296 172.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -54.18 -51.63 63.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.252 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -54.86 -46.85 74.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.212 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.4 m -56.64 -40.69 75.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.7 mt -69.47 -33.49 72.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.25 -40.19 95.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.2 -37.98 81.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -59.98 -44.54 94.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 175.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.42 -38.37 83.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.25 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.0 -46.22 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.222 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.26 -47.24 81.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -59.1 -41.72 88.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.3 -40.59 96.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 174.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.24 -48.06 83.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.203 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.14 -43.11 88.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.5 -39.35 88.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 -178.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.65 85.64 7.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -55.24 136.46 73.51 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.803 1.668 . . . . 0.0 111.106 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.6 p -161.93 156.13 22.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.245 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.45 -38.75 78.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.83 -51.08 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.227 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -69.2 -32.61 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -175.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.0 mt -63.17 -49.06 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.31 -43.49 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.22 -39.09 93.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.74 74.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.266 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.03 -45.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.293 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.16 -53.71 32.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.63 90.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.56 -44.38 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.295 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.52 -46.22 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.194 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.34 -38.96 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.52 -38.25 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.02 -39.02 84.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.283 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.78 95.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.42 -38.36 90.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.87 -45.14 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.241 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.0 t -59.59 -42.66 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.97 -39.03 93.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.31 99.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.251 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.99 -46.91 90.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.37 -43.04 64.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.51 80.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.501 HG21 HG21 ' A' ' 51' ' ' ILE . 29.5 mt -67.21 -44.41 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 178.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.38 -45.65 85.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.227 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -68.82 -43.59 75.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -54.88 -42.79 72.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -58.97 -44.81 91.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.91 88.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.24 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.0 -37.36 81.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.87 -42.34 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.53 -45.33 86.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.98 -36.39 83.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.261 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.88 -43.39 98.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.236 174.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.24 -39.92 88.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -58.46 -48.51 80.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.99 82.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.98 -46.74 93.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.27 -42.49 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.323 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.55 -39.8 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.06 98.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 173.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.01 -37.48 87.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.194 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.22 -42.29 96.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 175.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.35 -37.21 77.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 90.2 mt -66.47 -44.6 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.92 40.11 0.92 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t -63.55 142.88 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 111.17 171.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -37.9 131.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.43 -44.88 80.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 -175.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' B' ' 81' ' ' GLU . 66.0 tttm -58.64 -47.16 85.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -175.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.0 -44.24 90.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.02 -43.93 97.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.287 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.33 -41.64 98.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.223 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' B' ' 77' ' ' LYS . 97.2 mt-10 -61.35 -42.03 98.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.286 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.29 -40.29 89.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.194 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.22 -44.74 82.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.242 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.79 -42.93 94.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.201 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -66.01 -40.89 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.205 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 45.9 tp -68.58 -44.43 74.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.83 -39.85 93.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.248 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.58 -39.2 84.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.21 -44.54 97.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -55.1 -47.29 75.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.3 -36.91 81.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 57.1 p -72.18 -11.72 60.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -172.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -177.619 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp . . . . . 0 CA--C 1.523 -0.091 0 CA-C-O 120.884 0.374 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.88 -31.97 80.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.5 -30.58 27.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 0.0 111.161 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 tp -62.28 -46.29 89.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.232 172.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -54.19 -51.65 63.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.227 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -54.71 -46.94 74.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.5 m -56.64 -40.64 75.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.22 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -69.58 -33.42 72.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.2 -40.26 95.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.03 -37.51 75.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.2 -38.0 81.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.261 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -60.03 -44.46 94.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.46 -38.44 84.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.93 -46.18 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.24 -47.3 81.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.08 -41.64 88.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.34 -40.57 96.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.25 -48.05 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.1 -43.18 88.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.53 -39.24 88.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.66 85.66 7.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.258 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.34 136.49 73.83 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.747 1.632 . . . . 0.0 111.21 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 95.3 p -161.93 156.14 22.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.273 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.46 -38.8 78.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.259 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.68 -51.2 70.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.259 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.08 -32.7 72.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.207 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 82.5 mt -63.1 -49.09 84.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.3 -43.51 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.189 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.12 -39.14 93.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.7 74.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.294 175.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.05 -45.87 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.15 -53.6 33.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.228 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.58 91.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.53 -44.45 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 75.3 t -59.59 -46.09 93.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.281 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.33 -39.02 93.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.53 -38.15 88.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -60.08 -38.95 84.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.85 95.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.35 -38.44 91.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.83 -45.19 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.227 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 44.2 t -59.56 -42.62 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.95 -39.0 93.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.213 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.41 99.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.228 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.88 -46.99 90.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.35 -42.98 64.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.53 -44.38 80.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.498 HG21 HG21 ' B' ' 51' ' ' ILE . 29.3 mt -67.21 -44.48 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 51.3 t -57.36 -45.61 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.212 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -68.81 -43.61 75.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.82 -42.89 72.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -58.96 -44.78 91.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.9 88.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -67.96 -37.41 81.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.268 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -61.88 -42.32 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.229 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 42.8 t -57.49 -45.37 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.96 -36.45 83.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -62.93 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.218 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.3 -39.9 88.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -58.42 -48.53 80.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.53 -39.03 82.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.95 -46.64 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.22 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.32 -42.57 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.237 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.59 -39.64 91.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.01 98.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.96 -37.51 87.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.269 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.15 -42.23 96.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.242 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.41 -37.07 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.235 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.55 -44.63 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.92 40.19 0.92 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 52.2 t -63.68 142.91 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.376 . . . . 0.0 111.073 171.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -37.89 131.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -56.48 -44.84 81.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 77' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' C' ' 81' ' ' GLU . 66.0 tttm -58.67 -47.07 85.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.249 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.02 -44.26 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.97 -43.94 97.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.297 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.37 -41.61 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 81' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' C' ' 77' ' ' LYS . 97.1 mt-10 -61.43 -41.95 97.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.183 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.46 -40.25 89.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.23 -44.74 82.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.79 -42.94 94.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.94 -41.0 91.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.56 -44.36 74.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.194 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.96 -39.79 93.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.52 -39.27 85.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.22 -44.48 97.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.246 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.14 -47.27 75.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.32 -36.91 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.264 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 56.9 p -72.13 -11.74 60.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 -173.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -177.609 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.696 0.284 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.88 -56.47 18.4 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.74 -37.22 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.76 0.314 . . . . 0.0 111.139 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.68 -49.36 77.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.261 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.84 -44.28 86.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -56.05 -49.59 73.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -60.41 -36.66 78.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.573 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.5 tm? -63.15 -46.88 85.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -36.98 85.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.69 -38.39 83.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.211 175.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.5 tp -60.22 -43.58 95.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 174.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.58 -46.34 80.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.204 174.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -55.15 -46.18 75.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.51 -43.11 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 tp -55.12 -49.54 71.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.98 -40.38 88.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.31 -39.86 93.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.42 -50.31 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.01 -40.33 96.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -175.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.46 -41.54 84.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.226 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.46 79.51 35.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.94 135.08 66.89 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.69 1.593 . . . . 0.0 111.159 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.9 p -165.58 156.97 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.66 -38.21 77.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.249 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.66 -51.55 69.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.5 -33.56 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.28 -49.49 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.94 -43.07 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.09 -38.61 91.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.95 88.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.211 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.35 -46.48 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.93 -53.52 48.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.84 83.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.96 -46.04 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.249 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.28 -43.81 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.96 -40.68 96.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -58.99 -50.4 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 174.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -58.99 -43.79 91.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.7 86.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.218 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.7 -37.43 82.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.51 -46.36 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.83 -41.66 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.286 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -62.06 -43.56 98.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.98 80.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.26 -40.79 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.63 -51.94 34.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.27 171.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.43 93.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.7 mt -64.43 -45.69 95.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.213 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.93 -44.08 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.84 -40.74 96.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 176.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.56 -43.57 98.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 176.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -59.65 -43.35 93.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.88 95.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -65.03 -40.0 94.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.27 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.91 -41.69 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.184 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.0 t -57.61 -47.67 84.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.77 -36.09 81.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.36 -48.44 79.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.53 -40.43 91.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.218 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.9 -51.78 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.04 80.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.89 -46.76 90.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.86 -44.54 99.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.268 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.78 -37.03 85.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 176.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.92 95.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.33 -39.13 93.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.28 -42.38 98.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.33 82.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.89 -42.2 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.75 33.02 1.34 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.88 143.99 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.274 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' A' ' 77' ' ' LYS . 19.0 t0 -43.11 129.86 4.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.235 176.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.49 -28.58 70.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 -173.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' NZ ' ' OD2' ' A' ' 75' ' ' ASP . 38.4 mtmm -61.92 -56.98 13.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.262 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.74 -30.84 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.6 -48.48 80.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -57.03 -47.93 79.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 176.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -56.24 -48.9 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.4 mtm -62.13 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 -175.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.04 -42.37 97.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.171 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.12 -41.52 81.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.266 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.88 -39.01 87.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.185 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.78 -47.22 78.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.13 -35.32 75.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.58 -38.51 87.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.194 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.12 -49.16 78.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 171.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -56.0 -48.88 75.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.226 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.78 -43.88 94.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -60.18 -39.67 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.272 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.5 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 177.71 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.8 tp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.812 0.339 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.85 -56.54 17.96 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.62 -37.27 84.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.67 -49.45 77.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.82 -44.28 86.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -55.97 -49.59 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.5 m -60.38 -36.67 78.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.571 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.5 tm? -63.22 -46.83 85.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -37.04 85.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.55 -38.42 84.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.182 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 40.1 tp -60.33 -43.56 96.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 174.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.56 -46.35 80.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -55.1 -46.18 75.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.61 -43.07 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 tp -55.2 -49.49 71.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.213 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.02 -40.34 88.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.35 -39.85 92.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.37 -50.2 74.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.19 -40.23 95.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -175.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.53 -41.46 84.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.249 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -137.53 79.52 35.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -54.92 135.1 66.92 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.676 1.584 . . . . 0.0 111.124 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.9 p -165.62 157.01 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.69 -38.24 77.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.242 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.66 -51.51 69.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -65.46 -33.57 76.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.5 mt -63.32 -49.49 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.4 t -64.96 -43.1 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.14 -38.46 91.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.99 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.226 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.38 -46.4 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.99 -53.57 48.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.77 82.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -63.98 -46.15 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.07 -43.83 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.277 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.04 -40.69 96.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.89 -50.44 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -58.96 -43.84 91.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.58 86.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -67.8 -37.45 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.44 -46.5 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.79 -41.63 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.247 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -62.05 -43.56 98.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.94 -36.92 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.221 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.29 -40.8 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.228 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.65 -51.91 34.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.276 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.5 93.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.28 -45.76 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.9 -44.14 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.84 -40.75 96.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.19 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.45 -43.55 98.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.229 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -59.8 -43.33 94.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.176 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.74 95.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -65.15 -39.93 93.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.94 -41.66 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 45.8 t -57.59 -47.7 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.75 -36.14 81.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.27 -48.46 79.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.195 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.56 -40.39 91.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.172 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.99 -51.75 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 176.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.09 79.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.255 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.85 -46.77 90.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.96 -44.46 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.213 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.85 -37.07 85.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.8 95.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.247 175.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.33 -39.22 93.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.28 -42.37 98.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.213 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.27 82.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.06 -42.07 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.237 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.69 33.06 1.34 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.9 144.0 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.262 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ASP . . . . . 0.409 ' OD2' ' NZ ' ' B' ' 77' ' ' LYS . 19.0 t0 -43.08 129.91 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 176.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.53 -28.66 70.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -173.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.409 ' NZ ' ' OD2' ' B' ' 75' ' ' ASP . 38.4 mtmm -61.89 -57.0 13.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.283 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.59 -30.94 51.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -58.62 -48.43 81.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -57.01 -47.94 79.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -56.25 -48.85 75.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.267 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.4 mtm -62.14 -43.41 98.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.01 -42.39 97.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -177.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.15 -41.52 81.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.82 -39.09 87.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.73 -47.18 79.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.19 -35.24 74.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.59 -38.59 87.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.01 -49.16 78.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.06 -48.89 75.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.191 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.77 -43.88 94.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 74.2 m -60.22 -39.64 87.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 177.768 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.88 -56.52 18.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.7 -37.13 84.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.74 -49.43 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.86 -44.23 86.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -56.13 -49.49 73.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -60.45 -36.71 78.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.565 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.5 tm? -63.07 -46.87 85.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.264 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.14 -36.98 85.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.61 -38.41 83.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.228 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 40.2 tp -60.26 -43.58 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 174.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.6 -46.32 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.181 174.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -55.17 -46.22 75.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.5 -43.12 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.2 -49.44 71.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.249 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.06 -40.37 89.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.3 -39.92 93.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.33 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 -175.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.54 -41.49 84.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.48 79.51 35.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -54.94 135.06 66.83 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.673 1.582 . . . . 0.0 111.176 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 94.4 p -165.54 157.08 14.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.8 -38.2 78.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.72 -51.49 69.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -65.49 -33.57 76.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.25 -49.51 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.93 -43.13 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.12 -38.51 91.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.2 -47.06 87.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.29 -46.46 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.96 -53.5 48.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.235 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.74 82.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.04 -46.1 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.14 -43.79 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.02 -40.72 96.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -58.98 -50.41 74.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 174.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -59.01 -43.74 91.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.6 86.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -67.79 -37.48 82.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.47 -46.36 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.216 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.91 -41.54 86.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.281 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -62.03 -43.6 98.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.193 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.87 80.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.27 -40.84 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.64 -51.96 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 172.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.46 93.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.189 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.35 -45.76 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.86 -44.15 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.82 -40.72 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.46 -43.66 98.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -59.68 -43.43 94.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.8 95.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -65.09 -39.92 93.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.231 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.99 -41.69 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.49 -47.73 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.244 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.68 -36.19 81.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.196 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.28 -48.45 79.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.234 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.56 -40.42 91.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.167 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.92 -51.83 68.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.13 80.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.217 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.5 mt -64.81 -46.79 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.91 -44.55 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.76 -37.04 85.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.83 95.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.213 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.31 -39.2 93.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.3 -42.37 98.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.19 82.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.03 -42.02 90.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.273 176.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.64 32.96 1.36 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.87 144.01 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.249 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 75' ' ' ASP . . . . . 0.41 ' OD2' ' NZ ' ' C' ' 77' ' ' LYS . 19.0 t0 -43.12 129.89 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.52 -28.57 70.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.204 -173.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 77' ' ' LYS . . . . . 0.41 ' NZ ' ' OD2' ' C' ' 75' ' ' ASP . 38.4 mtmm -61.98 -57.0 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.65 -30.84 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.59 -48.47 80.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -57.08 -47.94 79.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -56.21 -48.84 75.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 74.3 mtm -62.24 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -175.076 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.05 -42.35 97.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -177.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.19 -41.5 81.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.87 -39.04 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.72 -47.25 78.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.15 -35.3 75.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.211 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.41 -38.71 88.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.05 -49.13 78.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 171.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -56.0 -48.92 75.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.201 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.83 -43.84 94.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 74.1 m -60.14 -39.65 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.232 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 60.5 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 177.745 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 120.868 0.366 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.47 -50.74 64.51 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.21 -38.48 90.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.216 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.21 -43.46 94.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.231 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.41 -51.81 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -58.68 -45.67 88.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -63.62 -40.93 98.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.0 mt -61.56 -41.2 97.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.77 -40.49 95.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.12 -41.3 97.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.26 -41.97 94.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.28 -41.21 96.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.209 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.96 -39.15 93.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.5 mt -65.44 -42.49 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.262 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.7 mt -58.9 -41.43 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.24 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.51 -50.25 70.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.19 -40.23 93.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.79 -47.48 80.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.256 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -73.62 -43.95 58.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.48 -39.68 85.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.53 79.13 25.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.202 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -54.08 136.71 68.25 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.727 1.618 . . . . 0.0 111.224 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.6 p -164.06 157.18 17.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.09 -36.41 72.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -58.53 -54.62 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.26 -35.01 73.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.204 -174.212 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.42 -50.47 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.69 -45.65 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 -177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.5 -38.85 92.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.213 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.99 71.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.2 mt -62.64 -46.47 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -56.7 -47.15 80.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.32 92.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.61 -43.09 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.235 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.21 -41.99 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.254 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.93 -42.28 93.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -58.63 -49.34 77.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -56.77 -47.89 79.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.85 89.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.224 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -65.56 -40.35 92.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.412 ' O ' HG12 ' A' ' 48' ' ' ILE . 90.5 mt -64.28 -52.93 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.192 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.32 -40.72 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.24 -45.87 91.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -36.62 84.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 44' ' ' ILE . 25.9 mm -62.63 -39.51 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.231 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.78 -45.5 78.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.258 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.41 87.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.195 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.2 mm -61.79 -41.53 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.248 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.2 -44.62 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.33 -40.97 96.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -63.0 -39.1 93.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -63.77 -37.56 87.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.47 -38.93 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -67.3 -35.45 79.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.91 -40.19 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.07 -43.73 93.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 174.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -61.78 -37.4 84.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.66 -49.33 73.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.221 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -58.77 -41.14 85.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -59.54 -54.97 40.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.196 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.41 -37.31 80.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.2 mt -62.4 -47.75 91.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.97 -42.27 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.56 -39.57 91.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.72 97.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.38 -35.79 81.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -65.84 -40.67 91.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.4 95.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -176.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.0 pt -78.46 -20.74 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.12 46.96 1.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 168.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.9 t -60.52 144.39 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 111.17 169.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.77 134.63 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.49 -46.5 76.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.25 -175.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.11 -46.89 84.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.59 -42.56 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.03 -45.12 93.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.226 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.54 -40.31 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.11 -41.84 99.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.204 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.44 -40.32 85.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.02 -39.81 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.73 -50.52 73.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 173.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.31 -38.85 81.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.66 -50.77 72.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.85 -40.82 92.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.36 -46.62 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.83 -51.54 64.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.35 -42.96 74.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.247 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.58 -36.6 68.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.9 m -61.31 -31.37 71.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -178.37 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 CA--C 1.523 -0.059 0 CA-C-O 120.815 0.34 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.55 -50.61 65.93 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.24 -38.5 90.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 111.213 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.34 -43.35 94.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.58 -51.72 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -58.66 -45.69 88.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -63.68 -40.92 98.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.149 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.4 -41.31 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.258 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.71 -40.53 95.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.19 -41.12 97.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.256 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 42.7 mt -60.36 -41.99 94.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.32 -41.14 96.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.186 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.01 -39.17 93.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.35 -42.52 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.298 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.91 -41.39 87.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.216 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.62 -50.2 70.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.187 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.12 -40.2 94.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 63.2 tp -63.9 -47.47 80.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.261 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -73.56 -44.0 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -175.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.45 -39.77 85.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.52 79.21 25.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.09 136.71 68.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.755 1.637 . . . . 0.0 111.193 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 90.1 p -164.05 157.25 18.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.2 -36.38 73.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -58.57 -54.53 45.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.34 -34.96 73.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.48 -50.46 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.3 t -64.67 -45.68 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.44 -38.91 92.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.89 71.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.71 -46.5 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -56.63 -47.23 80.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.4 92.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.56 -43.06 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.25 -42.02 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.88 -42.33 93.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 176.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -58.57 -49.38 77.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -56.82 -47.85 79.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.81 89.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.24 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.48 -40.43 93.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.415 ' O ' HG12 ' B' ' 48' ' ' ILE . 90.3 mt -64.35 -52.86 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.226 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.33 -40.72 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -172.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.14 -45.97 91.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.62 84.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.239 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 44' ' ' ILE . 26.0 mm -62.64 -39.47 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.86 -45.43 78.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.33 87.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.244 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 33.9 mm -61.92 -41.54 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.09 -44.72 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.37 -40.93 96.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.96 -39.02 93.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.238 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.93 -37.49 87.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.87 88.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.243 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -67.26 -35.51 79.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.91 -40.2 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.204 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.96 -43.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 174.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -61.87 -37.36 84.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.69 -49.36 73.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -58.73 -41.15 85.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -59.52 -54.99 40.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.44 80.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.238 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 72.6 mt -62.32 -47.86 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.244 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.86 -42.24 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.65 -39.5 91.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.63 98.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.44 -35.78 81.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -65.78 -40.71 92.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.27 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.35 95.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.177 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 pt -78.48 -20.69 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.09 47.02 1.94 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 168.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 38.8 t -60.54 144.39 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.782 0.325 . . . . 0.0 111.191 169.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.77 134.62 0.7 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.42 -46.52 76.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.233 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LYS . . . . . 0.401 ' NZ ' ' OE2' ' B' ' 81' ' ' GLU . 64.9 tttm -58.2 -46.8 85.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 -176.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.66 -42.57 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.99 -45.15 93.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.54 -40.34 94.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' GLU . . . . . 0.401 ' OE2' ' NZ ' ' B' ' 77' ' ' LYS . 97.7 mt-10 -63.12 -41.77 99.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.47 -40.32 85.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.06 -39.72 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.252 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.77 -50.45 73.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.258 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -59.34 -38.87 81.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.64 -50.79 72.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 176.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.78 -40.78 92.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.242 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.41 -46.58 86.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.88 -51.53 64.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.4 -42.86 74.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.57 -36.68 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 66.5 m -61.28 -31.34 71.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.205 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.261 -178.463 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 120.839 0.352 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.48 -50.69 65.0 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.25 -38.42 90.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 111.257 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.38 -43.41 94.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.39 -51.85 65.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -58.58 -45.75 88.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -63.58 -40.93 98.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.271 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.52 -41.24 97.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.195 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.8 -40.43 95.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.19 -41.25 97.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.29 -41.98 94.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.23 -41.2 96.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.221 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.02 -39.1 92.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.191 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.46 -42.55 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 mt -58.85 -41.42 86.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.247 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.51 -50.33 70.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.09 -40.25 94.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.85 -47.48 80.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -174.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -73.55 -44.03 58.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -175.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.47 -39.73 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.53 79.18 25.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.12 136.68 68.44 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.73 1.62 . . . . 0.0 111.251 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -164.1 157.18 17.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.09 -36.45 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -58.53 -54.55 45.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.36 -34.92 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.196 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.5 -50.36 78.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.77 -45.65 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.43 -38.91 92.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.235 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -50.89 71.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 89.2 mt -62.73 -46.38 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.288 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -56.7 -47.22 80.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.31 92.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.227 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.6 -42.96 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.298 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -61.34 -42.01 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.96 -42.25 93.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 176.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -58.62 -49.32 77.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.237 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -56.74 -47.95 78.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.8 89.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.264 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.52 -40.4 92.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ILE . . . . . 0.409 ' O ' HG12 ' C' ' 48' ' ' ILE . 90.0 mt -64.38 -52.84 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.45 -40.7 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -172.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.13 -45.93 91.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.08 -36.46 84.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.27 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' ILE . . . . . 0.409 HG12 ' O ' ' C' ' 44' ' ' ILE . 25.9 mm -62.8 -39.4 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.79 -45.55 78.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.272 171.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.38 87.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.236 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 mm -61.91 -41.48 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 62.2 t -61.11 -44.72 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.44 -40.85 95.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.95 -39.11 93.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.86 -37.51 87.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.93 88.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.24 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -67.22 -35.51 79.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.92 -40.19 87.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.94 -43.81 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -61.75 -37.47 84.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.66 -49.32 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.24 173.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -58.6 -41.29 85.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -59.47 -55.06 39.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.4 80.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.223 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.36 -47.82 91.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.83 -42.29 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.182 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.62 -39.52 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.224 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.78 97.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.217 173.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.3 -35.75 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -65.9 -40.72 91.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.39 94.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 pt -78.47 -20.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.09 46.84 1.97 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 169.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 38.9 t -60.41 144.37 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.219 169.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.81 134.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.52 -46.52 77.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.216 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.09 -46.9 84.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -176.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.54 -42.57 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.04 -45.16 93.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.47 -40.39 94.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.08 -41.72 99.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.266 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.52 -40.31 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.04 -39.78 93.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.64 -50.62 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 173.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.23 -38.89 81.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.64 -50.81 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.76 -40.82 92.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -58.36 -46.6 85.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.97 -51.45 64.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.145 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.41 -42.98 74.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.44 -36.69 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.241 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 66.5 m -61.23 -31.41 71.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.181 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 -178.374 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.2 tp . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.812 0.339 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.81 -54.08 40.24 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.79 -32.22 71.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.16 -47.6 79.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.43 -42.43 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -54.02 -46.47 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 174.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -59.41 -39.36 83.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.268 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.32 -41.59 84.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.211 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.88 -37.87 89.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -64.14 -39.99 95.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.61 -39.57 94.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.14 -52.59 64.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -56.48 -48.93 76.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.76 -44.27 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.214 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.75 -46.62 84.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.202 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.35 -39.43 87.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.255 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.62 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.283 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.18 -38.8 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.21 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.69 -37.66 87.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.21 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -80.57 -35.03 34.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.19 94.96 2.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -176.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -81.27 61.45 8.13 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.686 1.591 . . . . 0.0 111.212 -173.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -74.45 155.64 37.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.16 -38.44 79.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.212 175.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.85 -50.3 72.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -64.75 -35.84 82.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.196 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.99 -45.75 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.03 -41.68 90.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.171 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.91 -38.28 87.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.84 82.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.9 mt -60.19 -46.53 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.25 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -49.98 -54.74 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.64 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -177.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.0 mt -64.61 -44.34 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.4 -43.17 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.97 -38.67 92.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 176.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.23 -50.3 73.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.02 -35.78 77.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.17 89.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -66.05 -35.02 79.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.22 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.85 -47.83 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.67 -46.12 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.182 -177.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.42 -37.94 86.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.41 95.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mm -62.61 -42.83 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.19 -48.13 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.226 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.02 83.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.71 -43.13 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.23 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.59 -45.0 97.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.31 -42.11 98.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 177.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.69 -46.41 89.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.225 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.49 -42.42 87.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.37 96.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.58 -37.85 87.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.73 -42.76 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.99 -47.51 91.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.08 -37.46 87.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.295 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -63.36 -49.58 73.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.266 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.07 -39.33 85.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.216 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -55.64 -53.42 56.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.48 85.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.207 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.31 -47.21 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.25 -43.34 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.272 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.46 -40.66 92.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.92 -44.93 96.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.61 -35.09 79.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.185 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.78 -44.46 85.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.47 -34.68 71.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 -175.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.6 pt -88.95 -3.42 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 -175.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.87 47.18 4.87 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 170.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.6 t -72.76 143.72 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.207 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -40.46 129.21 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.43 -38.54 66.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -57.95 -48.11 80.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 -176.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.57 -41.63 92.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.18 -43.06 92.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.63 -43.24 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.96 -44.9 91.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.14 -41.26 94.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.36 -34.82 78.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.26 -45.11 93.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.209 173.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.51 -37.09 85.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.204 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.77 -49.14 73.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.212 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.36 -42.58 98.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.217 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.84 -36.85 82.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.41 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.201 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.97 -32.81 71.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.265 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -56.32 -31.32 63.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.2 p -63.38 -22.1 66.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.241 -175.26 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 26.1 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.841 0.353 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.89 -54.02 40.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.79 -32.22 71.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.739 0.304 . . . . 0.0 111.154 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.18 -47.59 79.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.4 -42.54 99.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -53.89 -46.5 71.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -59.41 -39.43 83.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.233 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.26 -41.52 84.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.289 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.94 -37.8 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.296 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.18 -39.99 95.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 173.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.62 -39.54 94.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 177.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -58.17 -52.61 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -56.43 -48.95 75.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.8 -44.27 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.74 -46.57 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.41 -39.37 87.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.264 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.59 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.261 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.1 -38.84 90.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.208 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.64 -37.74 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -80.5 -35.09 35.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.2 95.02 2.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -81.26 61.36 8.11 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.699 1.599 . . . . 0.0 111.226 -173.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 97.7 p -74.39 155.64 37.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.16 -38.44 79.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 175.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.79 -50.37 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -64.67 -35.87 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.0 -45.84 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -66.03 -41.59 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.216 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.98 -38.17 87.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.198 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.33 -47.85 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 173.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.21 -46.48 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.306 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -50.03 -54.71 18.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.219 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.61 83.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 75.0 mt -64.63 -44.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.36 -43.24 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.87 -38.72 91.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.266 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.2 -50.28 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 171.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.02 -35.84 77.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.22 89.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -65.94 -35.09 79.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.219 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.82 -47.85 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.7 t -55.67 -46.22 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.29 -37.99 86.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.36 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.0 mm -62.64 -42.76 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.12 -48.2 71.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.242 172.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.96 83.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.195 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.78 -43.1 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.203 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.56 -44.98 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.197 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.4 -42.08 98.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.75 -46.32 89.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -58.61 -42.33 87.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.21 96.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.208 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.71 -37.85 87.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.64 -42.86 95.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.05 -47.46 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 177.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.03 -37.45 87.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.288 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -63.46 -49.58 73.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.184 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.05 -39.36 85.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.235 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -55.61 -53.43 56.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.284 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.51 85.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.38 -47.19 94.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.17 -43.4 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.223 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.59 -40.59 92.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.98 -44.94 96.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.53 -35.1 79.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.77 -44.51 85.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 174.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -34.71 71.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 41.4 pt -88.9 -3.44 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.89 47.24 4.84 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 170.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 36.8 t -72.74 143.69 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.778 0.323 . . . . 0.0 111.237 170.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -40.48 129.2 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.33 -38.62 66.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -57.91 -48.17 80.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -176.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.64 -41.68 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.13 -43.04 91.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.175 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.56 -43.29 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.94 -44.93 91.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.14 -41.31 94.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.29 -34.81 78.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.34 -45.1 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.229 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.43 -37.14 86.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.183 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.7 tp -55.73 -49.15 73.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.4 -42.57 98.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.176 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.79 -36.89 82.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.45 -43.28 99.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.98 -32.79 71.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.22 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -56.44 -31.3 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 82.2 p -63.39 -21.99 66.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.209 -175.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.257 -175.237 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 26.5 tp . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.857 0.36 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.82 -54.08 40.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.71 -32.26 71.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.856 0.36 . . . . 0.0 111.181 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.16 -47.69 78.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.34 -42.52 99.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.206 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -53.83 -46.56 71.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -59.43 -39.37 83.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.241 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.28 -41.6 84.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.92 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.08 -40.02 95.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.63 -39.59 94.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.188 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.06 -52.66 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.213 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -56.49 -48.94 76.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.74 -44.37 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.63 -46.68 83.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.187 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.38 -39.4 87.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.52 -38.22 90.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.16 -38.77 90.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.73 -37.71 87.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.113 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -80.47 -35.15 35.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.12 95.02 2.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.199 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -81.25 61.34 8.11 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.697 1.598 . . . . 0.0 111.221 -173.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -74.39 155.59 37.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 -177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.09 -38.48 79.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.204 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.82 -50.35 72.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 178.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -64.77 -35.84 82.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.98 -45.75 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.163 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 72.5 t -66.06 -41.66 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.9 -38.21 87.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.73 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.286 173.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.23 -46.49 94.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.275 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -50.03 -54.7 18.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.209 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.6 83.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 75.3 mt -64.56 -44.42 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.34 -43.24 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.92 -38.69 92.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.268 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.21 -50.31 73.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 171.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.99 -35.82 77.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.16 89.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.235 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -66.11 -34.92 79.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.86 -47.9 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.66 -46.13 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.185 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.32 -38.06 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.38 95.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.236 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mm -62.61 -42.75 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.16 -48.25 71.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 172.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.04 83.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.69 -43.25 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.5 -45.04 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.31 -42.08 98.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.75 -46.4 89.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.203 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -58.45 -42.44 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.27 96.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.254 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.72 -37.79 87.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.69 -42.77 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.05 -47.44 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.12 -37.48 87.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -63.42 -49.56 73.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.225 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -60.07 -39.35 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -55.6 -53.47 56.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.55 85.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.202 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.32 -47.15 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.2 -43.39 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.267 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.51 -40.62 92.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.92 96.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 174.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.54 -35.15 79.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.223 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.79 -44.49 85.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.18 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.74 71.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.232 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 41.4 pt -88.88 -3.45 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.92 47.09 4.89 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 170.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -72.67 143.73 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 111.238 170.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -40.49 129.21 2.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.22 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.34 -38.61 66.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.222 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -57.91 -48.19 80.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.53 -41.67 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.11 -43.09 91.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.58 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.87 -44.94 91.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.13 -41.32 94.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.3 -34.77 78.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.43 -44.99 92.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.53 -37.15 85.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.63 -49.21 73.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.235 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.34 -42.61 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.2 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -61.8 -36.87 82.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.36 -43.45 98.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.85 -32.86 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.279 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -56.39 -31.23 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 82.3 p -63.48 -21.96 66.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.158 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.268 -175.271 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.821 0.343 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.63 -52.15 54.69 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 173.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.1 -41.19 87.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.741 0.305 . . . . 0.0 111.216 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.24 -45.25 94.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.2 -40.01 86.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.198 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -58.46 -48.16 81.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.3 m -57.91 -40.99 81.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.297 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.06 -39.3 94.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -67.35 -41.83 84.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.85 -38.9 83.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.239 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.4 tp -63.23 -40.75 98.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.213 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.44 -48.65 78.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.204 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.82 -39.03 80.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.12 -46.91 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.5 tp -56.46 -45.9 80.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.35 -42.06 90.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.52 -40.93 96.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.238 174.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.63 -50.06 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.42 -41.54 96.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.77 -41.87 74.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.84 80.64 30.2 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -54.01 135.53 64.07 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.72 1.613 . . . . 0.0 111.212 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.3 p -164.76 155.92 14.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.62 -36.93 74.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.32 -52.18 66.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.28 -31.42 68.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -174.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.73 -49.51 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.201 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.07 -43.41 97.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.202 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.68 -38.84 92.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.236 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.9 88.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.226 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 38' ' ' VAL . 86.1 mt -63.02 -47.45 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.08 -52.46 51.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.29 83.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.8 mt -65.14 -44.93 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 34' ' ' ILE . 64.4 t -58.97 -46.15 91.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.235 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.48 -40.72 97.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.89 -41.68 91.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.197 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -55.9 -43.35 77.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.66 89.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.67 -39.98 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.213 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.02 -45.94 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.68 -40.71 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -59.12 -40.52 85.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.275 175.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.28 99.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.231 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.8 mm -58.44 -45.76 89.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.4 -53.56 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.09 -39.37 78.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.03 -48.2 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.39 -44.52 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.265 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.16 -39.65 94.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -61.58 -43.02 99.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.219 176.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.12 -38.37 82.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.06 93.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.09 -37.31 87.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.274 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.25 -43.21 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.69 -46.67 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -66.43 -37.22 84.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.47 -46.47 89.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 172.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.19 -37.29 79.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -58.1 -47.4 83.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 174.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.4 85.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.258 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.17 -45.39 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.23 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.26 -43.44 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.27 -39.58 93.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.93 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -69.71 -43.99 71.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -60.42 -38.34 83.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.73 -25.47 64.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.6 pt -112.07 23.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -173.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.94 22.17 55.83 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 159.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.7 t -64.17 143.92 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.3 . . . . 0.0 111.181 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -43.62 129.58 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.297 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.23 -45.21 94.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.234 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.31 -46.53 88.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.221 -173.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 90.1 mt -59.93 -43.52 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.57 -43.33 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.53 -41.56 97.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.191 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.11 -39.39 94.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.41 -38.75 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.247 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.95 -40.25 97.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.231 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.36 -38.76 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.02 -38.22 87.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.4 mt -69.92 -35.59 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.42 -40.52 97.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -62.28 -42.71 99.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.83 -42.57 99.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -58.99 -46.23 88.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.32 -37.51 83.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.2 t -64.25 -42.12 96.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.241 -175.546 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 120.837 0.351 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.51 -52.27 53.87 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 173.012 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.14 -41.13 87.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.34 . . . . 0.0 111.184 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 68.4 mt -62.21 -45.32 93.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.188 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.21 -40.03 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -58.49 -48.11 81.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 62.3 m -57.95 -41.01 81.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.03 -39.3 94.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -67.41 -41.82 84.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.9 -38.87 83.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.248 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 tp -63.15 -40.78 98.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.242 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.49 -48.55 78.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.81 -39.1 80.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.2 -46.89 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -56.46 -45.83 80.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.23 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.43 -42.02 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.63 -40.83 96.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 174.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.68 -49.99 75.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.226 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.49 -41.6 96.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -175.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.52 -42.09 75.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.69 80.56 31.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -54.02 135.51 64.07 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.745 1.63 . . . . 0.0 111.168 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -164.69 156.01 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.7 -36.94 75.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 178.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.23 -52.14 66.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.179 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.39 -31.3 68.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.217 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.85 -49.47 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.06 -43.41 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.7 -38.85 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.42 -46.84 88.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.237 175.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.99 -47.47 92.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.07 -52.36 51.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -38.21 84.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.08 -44.92 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 64.7 t -59.02 -46.16 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.42 -40.81 98.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.182 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.92 -41.6 91.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -55.92 -43.43 77.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.64 89.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.237 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.61 -40.07 94.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.96 -45.96 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.236 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.74 -40.65 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -59.14 -40.54 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.22 99.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 175.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.49 -45.75 89.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.45 -53.47 57.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.19 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.282 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.13 -48.14 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.54 -44.4 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -64.05 -39.72 94.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.68 -42.93 99.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.213 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -60.18 -38.36 82.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.04 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.09 -37.37 87.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.26 -43.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.86 -46.52 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.253 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -66.47 -37.27 84.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.207 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -60.35 -46.47 89.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.24 -37.27 79.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.238 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -58.13 -47.3 83.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.41 85.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.205 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.25 -45.37 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.19 -43.44 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.246 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.25 -39.69 93.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.02 83.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 80.4 mt -69.64 -43.92 71.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.226 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -60.51 -38.36 84.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.65 -25.52 64.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 45.6 pt -112.05 23.46 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.91 22.14 55.96 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 159.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 37.9 t -64.12 143.9 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.735 0.302 . . . . 0.0 111.214 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -43.61 129.52 5.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.277 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.23 -45.25 93.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -176.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.37 -46.44 88.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.04 -43.48 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 65.7 mt -61.51 -43.25 99.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.75 -41.26 97.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.36 -39.31 94.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.36 -38.81 85.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.99 -40.24 97.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.226 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.32 -38.75 90.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.1 -38.21 88.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.193 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.83 -35.64 74.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.3 -40.59 97.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.305 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.43 -42.55 99.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.217 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.88 -42.56 99.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -59.0 -46.17 88.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.227 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -61.41 -37.46 83.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.22 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.1 t -64.22 -42.2 96.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.207 -175.51 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.866 0.365 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.58 -52.11 54.89 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.11 -41.29 87.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.1 -45.29 94.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.25 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.2 -39.99 86.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -58.43 -48.19 81.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 61.9 m -57.94 -40.99 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.265 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.04 -39.28 94.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.47 -41.78 84.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.82 -38.92 83.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 174.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 37.3 tp -63.26 -40.68 98.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.238 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.46 -48.62 78.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.93 -38.95 80.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.22 -46.87 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.216 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 tp -56.41 -45.88 80.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.233 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.34 -42.15 90.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.62 -40.76 96.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.267 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.68 -50.01 75.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.48 -41.6 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.62 -42.01 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.72 80.6 31.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -53.98 135.52 63.89 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.739 1.626 . . . . 0.0 111.164 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -164.8 155.94 14.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.69 -36.86 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.31 -52.12 66.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.156 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -70.4 -31.25 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -174.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.84 -49.5 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.07 -43.41 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.72 -38.82 92.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.185 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.89 88.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.404 ' O ' HG23 ' C' ' 38' ' ' VAL . 85.8 mt -63.0 -47.4 92.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.17 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.19 -52.42 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.27 83.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 76.0 mt -65.1 -44.97 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.404 HG23 ' O ' ' C' ' 34' ' ' ILE . 65.0 t -58.93 -46.2 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.248 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.49 -40.71 97.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.97 -41.61 90.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.223 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -55.96 -43.32 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.72 89.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.61 -39.96 94.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -69.09 -45.96 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.66 -40.74 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -59.14 -40.49 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.246 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.23 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.46 -45.73 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.44 -53.48 57.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.25 -39.22 78.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.16 -48.06 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.57 -44.48 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.23 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -63.96 -39.79 94.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.61 -43.02 99.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.09 -38.38 82.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.92 94.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.1 -37.36 87.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.296 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.26 -43.17 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.72 -46.64 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -66.44 -37.21 84.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.43 -46.5 89.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 172.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.24 -37.25 79.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -58.13 -47.26 83.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.42 85.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.25 -45.32 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.246 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.28 -43.46 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.13 -39.77 93.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.63 -37.95 83.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.128 175.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.63 -44.04 71.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -60.47 -38.31 83.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.62 -25.49 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 45.5 pt -112.14 23.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 -173.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.97 22.01 56.12 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 159.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 37.8 t -64.1 143.92 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 111.205 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -43.6 129.57 5.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.25 -45.28 93.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.29 -46.5 88.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.212 -172.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.94 -43.54 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.218 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.53 -43.22 99.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.69 -41.45 97.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.16 -39.45 94.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 77.2 mtm -67.36 -38.75 85.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.271 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.91 -40.32 97.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.27 -38.84 90.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -62.0 -38.27 87.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.86 -35.57 74.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.267 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.3 -40.64 97.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.281 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.37 -42.57 99.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.22 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 54.0 mt -62.91 -42.57 99.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -59.11 -46.1 89.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.39 -37.47 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.222 178.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 34.0 t -64.27 -42.08 96.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 78.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 -175.525 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.791 0.329 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.09 -30.56 5.97 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -75.92 -40.05 54.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 111.222 -175.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.59 -38.06 89.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.224 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.19 -46.9 75.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -55.79 -51.16 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.225 173.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.2 m -61.99 -39.76 93.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.566 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.4 tm? -66.13 -47.65 73.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.244 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.34 -36.91 85.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.0 -37.79 78.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 174.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.08 -43.86 95.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.202 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.89 -46.18 82.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.17 174.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -55.26 -46.02 76.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.79 -43.79 97.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 tp -55.53 -49.44 72.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.188 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.38 -40.79 92.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.198 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.6 -39.22 91.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.09 -49.96 75.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.282 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.55 -40.62 97.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.254 -175.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.29 -41.35 81.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.43 80.01 34.36 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.272 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.62 134.56 62.86 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.62 1.547 . . . . 0.0 111.226 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -164.95 156.26 14.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.237 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.04 -38.61 79.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.02 -51.25 70.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -65.43 -34.34 78.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.47 -48.83 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 177.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.01 -43.83 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.245 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.99 -37.86 89.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.225 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.53 -47.07 87.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 174.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.36 -46.63 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.207 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.29 -53.45 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.172 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.82 83.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.89 -46.38 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.06 -45.58 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.05 -41.5 98.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.44 -50.52 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 174.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.66 -39.99 90.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.58 -42.37 82.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.01 -36.59 80.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.78 -48.21 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.79 -41.31 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.253 -176.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.81 -39.28 93.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 175.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.05 93.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.91 -44.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -64.92 -46.65 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.33 98.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 93.5 mt -67.63 -51.84 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.47 -43.3 94.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.249 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.89 -41.78 99.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -61.83 -41.95 98.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.261 175.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.65 -39.41 93.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.165 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.58 90.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.287 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -66.01 -37.26 85.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.206 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.7 mt -61.55 -42.5 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.03 -45.38 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.2 -39.06 93.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.224 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -57.92 -45.33 86.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.27 -36.03 76.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.265 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -59.72 -45.74 91.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.227 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.92 77.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.189 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.59 -41.95 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.5 -43.58 91.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.11 -39.93 87.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.158 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.67 98.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.225 174.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.3 -40.49 96.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -64.98 -37.27 87.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -36.77 76.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.224 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.0 mm -74.06 -40.14 51.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.184 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.82 41.35 0.85 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.24 140.2 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.724 0.297 . . . . 0.0 111.169 169.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -41.55 127.31 3.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.69 -34.88 73.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.238 -174.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.26 -47.99 80.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.65 -43.64 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.41 -45.39 80.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -64.9 -37.0 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.71 -45.75 85.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 175.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.51 -36.62 83.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.5 -40.87 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.15 -44.67 87.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -56.13 -43.47 78.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -73.17 -39.27 65.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.186 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.07 -46.4 82.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.15 -41.42 99.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.198 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.64 -44.02 87.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -58.24 -43.55 87.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.266 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.15 -46.33 87.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 t -59.69 -40.18 87.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.256 -174.585 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.821 0.343 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.12 -30.47 5.99 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -75.92 -40.14 54.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -175.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.59 -38.05 89.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.14 -46.99 75.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.226 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -55.79 -51.13 68.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -62.06 -39.74 93.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.182 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.565 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.4 tm? -66.11 -47.68 73.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.265 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.33 -36.93 85.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.08 -37.76 78.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.1 -43.87 95.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.87 -46.16 82.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.188 174.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -55.22 -46.09 75.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.74 -43.77 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.0 tp -55.55 -49.37 72.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.42 -40.81 92.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.58 -39.25 91.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.03 -50.05 74.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.61 -40.52 97.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.259 -175.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.26 -41.54 80.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.29 80.05 34.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.236 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -54.66 134.55 62.92 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.704 1.602 . . . . 0.0 111.22 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -164.99 156.24 14.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.251 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.07 -38.57 79.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.98 -51.26 70.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -65.4 -34.41 78.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.5 -48.87 85.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.02 -43.79 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.09 -37.84 88.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.08 87.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.266 174.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.37 -46.68 96.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.23 -53.47 43.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.178 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.83 83.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.88 -46.36 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.7 t -62.03 -45.67 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.223 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -61.96 -41.54 98.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.46 -50.55 73.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.261 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.62 -39.95 90.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.46 82.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.231 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.0 -36.49 80.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.84 -48.22 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.8 -41.35 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.78 -39.23 93.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.06 93.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.98 -44.55 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.99 -46.63 80.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.23 98.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.183 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.9 mt -67.71 -51.77 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -176.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.45 -43.35 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 -176.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.95 -41.71 99.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.94 -41.96 98.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.56 -39.46 93.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.57 90.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.275 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.94 -37.39 85.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 82.9 mt -61.47 -42.53 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.224 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.95 -45.43 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.25 -39.01 93.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -57.89 -45.33 86.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.38 -36.03 77.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -59.67 -45.78 91.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.94 77.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.206 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.64 -41.87 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.51 -43.53 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.18 -39.84 87.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.71 98.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.28 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.25 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -64.97 -37.21 86.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.72 -36.67 77.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.171 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 40.1 mm -74.13 -40.09 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.81 41.27 0.86 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.17 140.17 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.178 169.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -41.5 127.3 3.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.143 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.7 -34.88 73.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.26 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.25 -47.97 80.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.72 -43.56 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.257 177.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.37 -45.49 79.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -175.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.78 -37.1 86.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.65 -45.74 85.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.46 -36.69 83.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.33 -40.99 88.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.178 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.08 -44.82 87.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -56.11 -43.36 78.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -73.28 -39.28 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.0 -46.48 82.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.06 -41.44 99.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.23 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.71 -44.0 87.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -58.14 -43.73 87.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.07 -46.29 88.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.254 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 43.4 t -59.73 -40.23 87.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.258 -174.545 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.801 0.334 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.14 -30.45 6.0 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.01 -40.06 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.746 0.308 . . . . 0.0 111.113 -175.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.63 -38.0 89.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.236 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.21 -46.96 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.213 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -55.8 -51.16 68.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 174.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -62.06 -39.62 93.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.561 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.4 tm? -66.19 -47.65 73.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.238 -176.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -65.35 -36.88 85.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.09 -37.73 78.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.1 -43.88 95.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.86 -46.26 81.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 174.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.21 -46.02 75.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.235 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.7 -43.8 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 tp -55.56 -49.41 72.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.188 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.34 -40.85 92.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.6 -39.23 91.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 175.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.01 -50.03 75.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.62 -40.6 97.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.25 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.25 -41.39 81.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.39 80.02 34.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.265 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -54.6 134.57 62.79 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 121.643 1.562 . . . . 0.0 111.183 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.4 p -164.97 156.26 14.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.02 -38.64 79.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.257 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.98 -51.25 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.207 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.234 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.41 -48.9 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.07 -43.68 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.255 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.11 -37.82 88.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.07 87.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.41 -46.63 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.17 -53.6 41.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.75 -37.79 82.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.327 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.99 -46.29 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.06 -45.62 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.97 -41.55 98.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.42 -50.52 73.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.272 174.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.64 -40.01 90.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.176 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.47 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.221 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.01 -36.47 80.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.83 -48.17 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.85 -41.38 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -176.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.78 -39.26 93.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 175.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -39.09 93.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.91 -44.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.9 -46.65 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.32 98.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 93.4 mt -67.69 -51.7 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 -176.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.54 -43.24 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -41.67 99.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.245 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.94 -41.98 98.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.46 -39.5 93.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.56 90.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 176.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.94 -37.32 85.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.243 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.49 -42.52 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.05 -45.32 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.23 -39.07 93.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -57.9 -45.24 86.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.44 -36.04 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.137 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -59.61 -45.87 90.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.87 77.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 177.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.62 -41.91 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.49 -43.56 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.13 -39.88 87.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.31 -40.52 96.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -64.94 -37.31 87.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.81 76.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.235 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 39.8 mm -74.06 -40.08 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.79 41.26 0.86 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.2 140.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 169.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -41.56 127.31 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.78 -34.79 73.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.228 -174.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.27 -47.96 80.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.69 -43.64 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.255 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.36 -45.45 80.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -175.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.87 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.84 -45.57 86.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 175.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.54 -36.67 83.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.46 -40.9 88.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.01 -44.9 87.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -56.1 -43.43 78.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.14 -39.29 65.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.02 -46.52 82.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.07 -41.41 99.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.25 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.66 -44.04 87.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -58.12 -43.7 87.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.267 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.03 -46.49 87.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 43.2 t -59.59 -40.22 86.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 -174.524 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.574 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 t -154.29 146.21 23.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.928 0.394 . . . . 0.0 111.174 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -105.34 108.11 19.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.322 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.8 -36.57 83.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.159 -173.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.61 -53.42 46.22 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.23 -37.45 85.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.687 0.279 . . . . 0.0 111.141 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.69 -50.3 69.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.199 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.86 -45.12 95.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.194 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.9 -49.97 73.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.24 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -61.27 -32.67 72.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.2 tm? -62.09 -45.93 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.281 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.81 -36.76 84.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -67.3 -37.38 83.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.04 -43.55 95.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.35 -45.49 80.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.256 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.84 -43.81 77.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.2 -44.46 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.293 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.9 tp -55.05 -48.71 73.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.55 -40.66 88.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.24 -39.35 89.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 175.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.26 -49.95 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.1 -40.57 94.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.87 -38.91 92.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.97 83.73 8.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.247 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -55.59 135.63 70.23 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.75 1.633 . . . . 0.0 111.198 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -162.79 156.41 20.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.258 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.62 -38.36 77.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.19 -51.81 68.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.237 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.88 -33.84 76.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.5 -49.18 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.1 t -64.4 -43.57 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.2 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.04 -38.13 89.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.09 87.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.67 -46.57 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.73 -54.19 31.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.25 83.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.4 mt -64.15 -46.27 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.97 -43.99 99.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.24 -41.32 96.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.06 -42.59 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 174.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -58.2 -37.14 74.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.13 82.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -73.71 -34.87 65.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.293 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.425 HG23 HD11 ' C' ' 48' ' ' ILE . 63.4 mt -60.52 -46.93 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.239 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.69 -46.35 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -67.25 -38.02 84.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -174.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.0 -34.86 75.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.419 HD11 HG23 ' B' ' 44' ' ' ILE . 74.4 mt -65.2 -48.96 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 170.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -62.27 -51.19 68.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.227 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.58 -37.53 75.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.99 -44.67 95.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.178 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.47 -43.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.84 -40.64 98.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.72 -39.63 93.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.4 HD21 HG23 ' B' ' 51' ' ' ILE . 99.6 m-20 -61.21 -39.55 90.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 177.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.62 -39.08 79.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.46 -40.55 89.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.95 -44.72 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.28 -41.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.27 -38.72 90.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.51 -40.43 96.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -61.8 -39.49 91.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.37 -41.1 96.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 175.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -37.21 85.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.3 mt -63.67 -41.73 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -55.81 -43.8 75.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.189 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.61 -46.84 87.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.232 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.36 81.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.41 -47.85 71.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.76 -33.62 74.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.02 -32.67 66.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.456 HD12 ' C ' ' A' ' 72' ' ' ILE . 2.8 pp -113.28 20.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -173.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.5 44.62 5.49 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 159.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.1 t -80.91 136.55 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.751 0.31 . . . . 0.0 111.2 166.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.58 124.49 16.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.6 -24.29 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.244 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.41 -32.48 39.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.281 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 97.1 mt -86.81 -47.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.9 mt -67.68 -39.54 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -170.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.38 -35.18 78.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.26 -172.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -68.09 -37.85 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.3 mtm -67.27 -37.43 83.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.91 -40.83 85.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.47 -44.86 95.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.21 -43.12 74.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.27 -37.52 85.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.29 -51.82 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -69.07 -38.43 79.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.01 -50.13 75.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.26 -44.69 72.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -54.62 -39.87 68.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.4 p -76.66 -10.55 59.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 -174.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.8 mt -96.6 -35.15 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.227 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -75.59 151.94 37.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.201 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -133.19 154.77 50.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.052 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 177.261 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.553 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -154.25 146.28 23.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 111.154 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -105.39 108.14 19.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.253 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.83 -36.47 83.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 -173.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.74 -53.42 46.31 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.12 -37.48 85.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.188 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 36.5 tp -63.72 -50.23 69.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.97 -45.04 95.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -56.9 -50.05 73.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.3 m -61.22 -32.62 72.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.221 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.488 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.2 tm? -62.14 -45.92 91.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.82 -36.78 84.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.222 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -67.23 -37.39 83.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.302 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.01 -43.65 95.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -56.36 -45.42 80.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.244 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.87 -43.79 77.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.3 -44.37 99.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.294 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.07 -48.76 73.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.59 -40.52 87.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.226 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.36 -39.31 89.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 175.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.24 -49.98 75.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.01 -40.65 95.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.268 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.83 -38.88 92.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.257 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.97 83.7 8.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.227 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -55.61 135.64 70.31 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.751 1.634 . . . . 0.0 111.22 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -162.83 156.39 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.238 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.55 -38.44 77.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.237 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -51.88 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.231 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.85 -33.92 76.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -176.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.45 -49.27 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.8 t -64.34 -43.56 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.214 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.99 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.08 87.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.69 -46.61 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.63 -54.34 28.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.12 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.266 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.27 -46.23 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.2 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.93 -44.07 99.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.12 -41.35 96.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.06 -42.7 99.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.192 174.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -58.01 -37.25 73.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.04 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -73.82 -34.9 64.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.419 HG23 HD11 ' A' ' 48' ' ' ILE . 63.3 mt -60.48 -46.96 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.7 -46.37 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.19 -38.09 84.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -174.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.94 76.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.427 HD11 HG23 ' C' ' 44' ' ' ILE . 74.1 mt -65.21 -48.85 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 170.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -62.36 -51.22 68.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.44 75.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.4 HG23 HD21 ' A' ' 55' ' ' ASN . 68.1 mt -59.94 -44.72 95.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.52 -43.54 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.85 -40.69 98.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.62 -39.65 94.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.229 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.403 HD21 HG23 ' C' ' 51' ' ' ILE . 99.5 m-20 -61.18 -39.54 90.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.226 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.03 79.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.223 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.54 -40.38 89.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 176.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.01 -44.75 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.29 -41.2 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.29 -38.72 90.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.188 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.51 -40.46 96.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.35 -41.0 96.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.16 85.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.82 -41.64 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 176.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -55.88 -43.7 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.174 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.76 -46.81 88.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.31 81.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.37 -47.93 71.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.74 -33.59 74.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.59 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.251 -175.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ILE . . . . . 0.453 ' C ' HD12 ' B' ' 72' ' ' ILE . 2.8 pp -113.38 20.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 -173.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.49 44.54 5.51 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 159.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.84 136.56 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 0.0 111.211 166.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.58 124.48 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.7 -24.15 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.55 -32.4 40.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 97.0 mt -86.88 -47.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.178 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.69 -39.58 84.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -170.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.41 -35.11 78.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.22 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -68.15 -37.84 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 50.4 mtm -67.24 -37.5 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -58.99 -40.75 85.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.52 -44.77 95.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.21 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.25 -43.11 74.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.24 -37.57 85.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -177.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.26 -51.86 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.186 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.0 -38.42 79.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 59.8 tp -59.08 -50.1 75.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.21 -44.78 71.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -54.59 -39.88 68.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -76.63 -10.66 59.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.211 -174.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 96.7 mt -96.45 -35.21 11.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.249 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -75.66 152.01 37.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -133.18 154.75 50.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.049 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 177.262 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 45.6 t -154.19 146.29 23.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 0.0 111.153 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -105.39 108.1 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.322 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.79 -36.52 83.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.201 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.66 -53.4 46.41 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.22 -37.45 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 111.191 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 36.6 tp -63.62 -50.28 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.212 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -61.91 -45.1 95.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.83 -50.03 73.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.226 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -61.27 -32.63 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.224 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.49 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.2 tm? -62.17 -45.85 91.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.262 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.89 -36.7 84.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.211 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -67.35 -37.37 83.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.05 -43.55 95.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -56.48 -45.37 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.264 174.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.88 -43.79 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.29 -44.44 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.257 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.99 -48.78 72.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.49 -40.64 87.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.31 -39.38 89.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.24 -49.97 75.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.11 -40.6 94.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.226 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.83 -38.85 92.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.279 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.99 83.7 8.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.217 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -55.61 135.58 70.02 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.758 1.638 . . . . 0.0 111.242 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.2 p -162.74 156.48 20.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.62 -38.39 77.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.307 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.11 -51.81 68.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.277 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.89 -33.9 76.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.39 -49.24 83.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.39 -43.59 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.97 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.02 88.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.65 -46.62 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.243 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.78 -54.16 31.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.48 -38.18 83.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.24 -46.17 94.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.02 -43.98 99.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.18 -41.33 96.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.08 -42.58 99.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.24 -37.14 74.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -177.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.22 82.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -73.7 -34.88 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.224 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.427 HG23 HD11 ' B' ' 48' ' ' ILE . 62.8 mt -60.54 -46.94 94.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.6 -46.4 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.19 -38.07 84.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -174.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.91 76.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.425 HD11 HG23 ' A' ' 44' ' ' ILE . 74.1 mt -65.22 -48.93 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 170.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 -62.33 -51.19 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.51 -37.64 76.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 -175.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.403 HG23 HD21 ' B' ' 55' ' ' ASN . 68.3 mt -59.86 -44.72 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.54 -43.47 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.91 -40.64 98.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 176.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.71 -39.56 93.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.283 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -61.19 -39.55 90.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.249 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.06 79.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.273 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.61 -40.27 88.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.14 -44.65 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.34 -41.2 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.2 -38.71 90.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.61 -40.45 96.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -61.72 -39.57 91.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.242 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.3 -41.09 96.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.74 -37.15 85.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 79.1 mt -63.65 -41.76 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 32.9 mm -55.76 -43.81 75.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.246 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.66 -46.81 87.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.231 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.33 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.38 -47.93 71.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -61.68 -33.62 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.296 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.95 -32.74 66.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' ILE . . . . . 0.457 ' C ' HD12 ' C' ' 72' ' ' ILE . 2.8 pp -113.3 20.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -173.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.52 44.57 5.5 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 159.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 54.0 t -80.87 136.51 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.698 0.285 . . . . 0.0 111.258 166.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.55 124.46 16.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.181 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.61 -24.24 65.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.188 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.49 -32.49 40.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 97.0 mt -86.83 -47.51 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 84.6 mt -67.7 -39.57 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -170.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.39 -35.21 78.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.194 -172.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -68.06 -37.87 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 50.3 mtm -67.3 -37.43 83.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.98 -40.8 85.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.099 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.44 -44.88 95.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.157 176.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.21 -43.15 74.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.2 -37.58 85.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.18 -51.91 67.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.99 -38.37 79.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.11 -50.05 75.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.27 -44.73 72.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.216 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -54.65 -39.87 68.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -76.57 -10.6 59.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.61 -35.18 11.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -75.53 151.96 37.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -133.18 154.76 50.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.216 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.063 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.261 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.55 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -60.18 -42.55 95.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.322 . . . . 0.0 111.232 -175.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -81.48 -42.28 20.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.297 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.09 -37.6 85.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 -175.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.98 -62.08 6.48 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.83 -34.99 72.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.732 0.301 . . . . 0.0 111.175 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.05 -49.95 75.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.208 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.27 -44.29 95.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -55.93 -47.7 77.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 174.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t -57.2 -41.86 80.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.68 -32.76 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.1 -41.27 99.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.224 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -69.3 -36.7 77.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.211 174.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.2 -39.18 85.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 175.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.41 -48.02 77.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 173.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.89 -38.31 85.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.49 -44.96 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.207 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.2 tp -57.13 -45.43 83.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.51 -46.72 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.248 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -64.02 -39.56 94.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.24 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.3 tp -60.83 -47.59 85.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.84 -42.36 81.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.63 -42.49 74.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.215 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.08 79.91 30.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -54.16 136.09 66.7 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.746 1.631 . . . . 0.0 111.167 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -164.3 157.03 17.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.2 -36.41 73.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.82 -52.44 65.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -68.46 -34.18 75.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.27 -49.81 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.162 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.1 t -64.44 -44.25 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.77 -39.49 94.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.5 72.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.29 -45.01 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.37 -53.95 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.25 93.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.32 -42.99 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.1 t -59.29 -47.45 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.26 -39.26 93.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.234 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.38 -41.31 98.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.237 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -60.14 -40.25 89.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.91 95.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.84 -36.97 83.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.219 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.95 -52.22 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.247 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.6 -42.49 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 -174.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.54 -39.85 95.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.96 83.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 173.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -74.79 -41.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -174.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.31 -43.67 79.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.252 171.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.3 86.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.8 -44.24 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.16 -42.92 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.12 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.01 -38.33 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -61.79 -39.05 90.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.26 -39.16 89.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.34 -39.17 92.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 84.9 mt -62.42 -41.72 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.257 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.86 -50.34 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.64 -35.74 80.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.155 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.44 -50.2 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 171.03 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -57.77 -38.7 75.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.236 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.31 -53.46 57.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.88 82.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.68 -47.83 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.71 -42.18 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.9 -39.84 90.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.0 96.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.44 -37.47 80.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.249 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.43 -40.88 96.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 173.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.28 78.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -69.98 -25.93 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.236 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.44 53.79 1.05 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 167.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.95 167.35 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 111.17 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -52.4 127.83 23.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.82 -37.09 70.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -58.26 -52.0 67.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 -176.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.85 -40.88 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.4 tp -54.3 -47.62 72.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.59 -41.02 93.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.25 -44.59 96.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.0 mtm -61.99 -42.22 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.38 -39.3 92.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.2 -48.9 76.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.263 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -60.18 -35.99 76.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.58 -50.65 72.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.67 -44.22 86.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.95 -41.92 97.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.229 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.2 tp -65.79 -47.03 76.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -61.76 -42.89 99.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.61 -34.71 76.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.4 m -68.24 -16.07 63.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.253 -175.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.79 -27.32 68.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.34 -24.35 67.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.533 ' O ' ' C ' ' A' ' 96' ' ' GLY . 74.9 mtm180 -70.51 -25.1 62.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -176.043 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 95' ' ' ARG . . . . . . . . 0 C--O 1.201 -1.947 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -171.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.563 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -60.16 -42.58 95.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 111.239 -175.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -81.45 -42.31 20.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.05 -37.64 85.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.96 -62.15 6.4 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.7 -35.0 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.09 -49.98 75.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.23 -44.32 95.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -55.9 -47.74 76.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t -57.2 -41.82 80.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.71 -32.82 74.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.07 -41.23 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -69.36 -36.72 77.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 174.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.2 -39.12 85.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.48 -47.99 78.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 173.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.9 -38.29 85.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.5 -44.94 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.219 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.12 -45.46 83.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.61 -46.66 77.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.91 -39.63 94.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.275 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 tp -60.83 -47.54 85.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.249 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.93 -42.32 81.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.62 -42.49 74.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -138.07 79.89 30.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -54.18 136.09 66.84 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.668 1.579 . . . . 0.0 111.205 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 92.7 p -164.25 157.06 17.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.24 -36.37 73.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.9 -52.43 65.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -68.36 -34.24 75.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.25 -49.77 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.224 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.53 -44.2 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.77 -39.49 94.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.46 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 88.3 mt -62.29 -45.0 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.4 -53.97 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.247 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.33 93.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.28 -43.03 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.25 -47.46 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.34 -39.23 93.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.32 -41.34 98.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.266 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.12 -40.28 89.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.95 95.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.195 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.82 -36.94 83.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.07 -52.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 48.1 t -61.57 -42.53 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.56 -39.9 95.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.179 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.99 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 173.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -74.75 -41.28 47.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 -174.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.33 -43.72 79.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.203 171.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.36 85.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.203 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.7 -44.31 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.13 -42.92 95.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.229 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.15 -39.36 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.215 175.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.05 -38.34 90.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -61.78 -39.05 90.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.13 89.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.286 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.35 -39.16 91.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.5 -41.73 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.86 -50.35 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -66.57 -35.81 81.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.198 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.36 -50.2 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 171.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -57.74 -38.78 75.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.16 -53.48 56.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.81 82.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 71.9 mt -61.76 -47.83 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.68 -42.18 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.92 -39.82 90.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.98 96.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.255 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.42 -37.54 80.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.203 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -61.39 -40.86 95.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.25 78.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -70.01 -25.93 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.48 53.73 1.05 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 167.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 31.5 m -75.92 167.35 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 111.196 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ASP . . . . . 0.402 ' OD2' ' NZ ' ' B' ' 77' ' ' LYS . 20.1 t0 -52.42 127.89 23.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.244 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.87 -37.06 70.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.217 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.402 ' NZ ' ' OD2' ' B' ' 75' ' ' ASP . 38.4 mtmm -58.21 -52.12 66.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -176.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.76 -40.92 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 64.5 tp -54.32 -47.59 72.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.61 -40.97 93.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.231 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.21 -44.62 96.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 177.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.06 -42.23 98.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.176 -178.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -62.28 -39.38 92.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.274 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.21 -48.87 76.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.231 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.17 -36.05 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.56 -50.64 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.67 -44.28 86.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.91 -41.9 97.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.82 -47.02 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.221 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -61.79 -42.87 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.6 -34.74 76.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 70.1 m -68.21 -16.09 63.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -175.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.8 -27.3 68.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.33 -24.36 67.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -175.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ARG . . . . . 0.546 ' O ' ' C ' ' B' ' 96' ' ' GLY . 74.8 mtm180 -70.48 -25.16 63.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -176.018 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 96' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' B' ' 95' ' ' ARG . . . . . . . . 0 C--O 1.2 -1.978 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -171.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.534 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -60.2 -42.53 95.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 111.243 -175.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -81.52 -42.25 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.06 -37.63 85.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 -175.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.96 -62.13 6.42 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.73 -35.04 72.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 111.186 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.07 -49.96 75.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -60.24 -44.34 95.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -55.88 -47.73 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 46.7 t -57.12 -41.88 79.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 46.8 mt -64.72 -32.77 74.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.01 -41.38 99.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -69.24 -36.7 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.232 174.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.16 -39.22 85.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 175.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.41 -48.02 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.87 -38.3 85.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.48 -45.01 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.185 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.09 -45.49 83.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.54 -46.74 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.231 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -63.92 -39.64 94.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.255 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 tp -60.77 -47.54 85.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.267 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.91 -42.32 81.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -176.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.61 -42.54 74.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.196 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.1 79.89 30.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -54.17 136.15 66.97 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.69 1.593 . . . . 0.0 111.203 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -164.32 157.03 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.27 -36.37 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -60.86 -52.41 65.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -68.38 -34.24 75.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -175.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.25 -49.8 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.47 -44.25 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.76 -39.48 94.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.5 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.25 -45.05 99.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.221 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.45 -53.92 20.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.35 93.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.27 -42.98 97.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.27 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 68.3 t -59.29 -47.46 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.31 -39.22 93.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.39 -41.27 98.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.232 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.11 -40.26 89.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.95 95.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.222 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.79 -36.98 83.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.204 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.01 -52.21 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.241 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.47 -42.57 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 -174.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.54 -39.84 95.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.94 83.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 173.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 78.3 mt -74.8 -41.31 47.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -174.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.32 -43.67 79.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.27 -42.23 86.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.76 -44.32 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.08 -42.99 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.14 -39.35 94.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.199 175.364 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.13 -38.23 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -61.81 -39.07 90.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.232 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.18 89.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.253 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.27 -39.15 92.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.42 -41.81 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.232 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.75 -50.43 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.59 -35.76 80.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.169 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.4 -50.14 74.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.169 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -57.79 -38.74 76.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.21 -53.48 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.8 82.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 71.9 mt -61.73 -47.83 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.66 -42.2 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.92 -39.81 90.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.02 96.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.198 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.44 -37.49 80.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.183 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.47 -40.8 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 173.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.27 78.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -70.0 -25.88 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.4 53.75 1.05 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 167.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 31.2 m -75.92 167.33 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.212 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -52.39 127.87 23.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.87 -37.04 70.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -58.32 -51.98 67.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -176.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.84 -40.89 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.199 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 64.5 tp -54.38 -47.56 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.66 -40.96 94.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.21 -44.59 97.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.05 -42.2 98.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.31 -39.33 92.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.304 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.19 -48.93 76.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.251 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.14 -36.03 76.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.52 -50.67 72.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.68 -44.21 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.98 -41.88 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.251 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.79 -47.1 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.188 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -61.75 -42.86 99.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.58 -34.79 76.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 70.6 m -68.2 -16.05 63.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.254 -175.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.84 -27.34 68.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.29 -24.32 67.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -175.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 95' ' ' ARG . . . . . 0.542 ' O ' ' C ' ' C' ' 96' ' ' GLY . 74.8 mtm180 -70.62 -25.03 62.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -175.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 96' ' ' GLY . . . . . 0.542 ' C ' ' O ' ' C' ' 95' ' ' ARG . . . . . . . . 0 C--O 1.2 -1.984 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -171.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -136.49 18.3 3.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.781 0.324 . . . . 0.0 111.218 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -77.03 162.01 27.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -174.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -52.48 -36.91 56.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.89 -33.75 84.67 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.83 -35.31 38.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 111.203 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.05 -40.68 96.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -64.94 -43.69 91.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -58.35 -47.72 82.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 174.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m -58.45 -40.88 83.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.243 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.87 -36.37 83.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -67.94 -42.6 80.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -70.11 -39.27 75.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.237 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.05 -44.74 96.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -57.95 -47.55 82.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 174.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.81 -45.53 70.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.22 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.39 -44.22 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.13 -48.03 74.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.169 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.08 -44.03 91.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.43 -38.51 91.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.195 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.93 -49.91 74.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.264 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.07 -41.22 95.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.32 -39.11 92.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.34 84.68 7.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.258 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -55.23 135.61 69.71 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.657 1.571 . . . . 0.0 111.228 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.9 p -162.96 156.9 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.26 -38.7 77.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.28 -51.62 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.66 -33.32 74.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.5 -49.14 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 177.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.61 -43.52 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.06 -39.71 95.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.257 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.63 -47.3 86.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 175.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.67 -47.07 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.3 -51.75 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.229 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.65 80.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.256 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.24 -45.58 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.95 -45.85 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.74 -42.01 97.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -59.67 -48.01 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.83 -41.05 85.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.05 93.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.3 -39.5 94.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.24 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.2 -47.44 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -70.59 -42.48 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -175.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.92 -36.59 83.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.35 -49.33 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.7 -22.98 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -173.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -46.34 -48.54 18.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.236 168.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.59 95.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.12 -47.01 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.265 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.55 -45.5 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.243 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.18 -39.94 96.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.223 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.5 -41.11 98.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -59.34 -41.74 89.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.41 90.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.03 -36.73 80.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.5 -42.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.24 -45.0 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.58 -38.86 92.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -58.93 -49.86 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.05 -37.73 77.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.22 -49.16 78.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.194 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.0 74.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.175 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.3 mt -65.51 -51.74 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.19 -25.19 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -173.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.41 -41.56 84.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 169.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.31 79.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.207 175.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.49 -43.74 96.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.246 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -58.57 -38.98 79.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.95 -27.4 65.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 pt -111.61 24.15 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -173.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 16.13 58.45 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 158.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.68 137.32 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.232 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -47.88 119.17 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -173.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -62.25 -32.8 73.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.195 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.21 -52.78 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.64 -42.06 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.209 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.45 -39.29 91.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.162 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -63.39 -36.99 85.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.26 -40.24 93.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 176.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 70.1 mtm -70.31 -36.72 74.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -56.48 -46.88 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.2 -49.99 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.21 176.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.34 -47.12 66.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.75 -40.87 92.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.221 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.45 -40.44 97.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.231 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.81 -40.49 97.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.298 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.94 -39.94 90.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.47 -40.76 79.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.8 -34.71 60.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.7 t -55.48 -42.13 73.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.28 -17.16 64.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.275 -175.214 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.93 -9.59 58.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -85.22 -14.78 45.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.229 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.97 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -175.255 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.582 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -136.59 18.34 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 111.181 -178.444 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -77.1 161.96 27.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -52.38 -37.0 55.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.8 -33.81 84.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.71 -35.42 39.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 111.238 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.01 -40.69 96.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.263 175.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -64.97 -43.71 91.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.222 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -58.23 -47.81 82.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.249 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 57.7 m -58.41 -40.98 83.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.3 mt -63.85 -36.28 83.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.96 -42.68 80.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -70.05 -39.29 75.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.274 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.03 -44.64 96.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.02 -47.47 82.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -53.95 -45.48 71.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.29 -44.28 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.175 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 62.8 tp -55.15 -47.98 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.185 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.14 -43.99 92.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.207 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.45 -38.51 91.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 176.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.87 -50.0 73.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.07 -41.18 95.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.3 -39.14 92.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.35 84.68 7.73 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.232 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -55.19 135.53 69.3 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.741 1.628 . . . . 0.0 111.195 -178.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.8 p -162.97 156.83 20.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.18 -38.72 77.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.221 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.2 -51.65 69.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.69 -33.3 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.222 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.48 -49.1 84.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.166 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 72.9 t -64.65 -43.5 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.254 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.12 -39.58 95.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.7 -47.27 86.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.249 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.68 -47.05 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.249 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.29 -51.83 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.71 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.26 -45.57 93.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.82 -45.91 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.8 -41.98 97.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.58 -48.06 83.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 177.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.78 -41.1 85.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.07 92.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.241 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.25 -39.58 94.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.255 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.2 -47.32 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.269 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 76.4 t -70.71 -42.45 77.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 -175.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.95 -36.6 83.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.26 -49.35 19.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.71 -22.94 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 -173.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -46.31 -48.58 18.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 168.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.6 95.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.14 -46.93 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.236 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.58 -45.56 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.13 -39.96 96.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -63.5 -41.14 98.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.207 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -59.32 -41.8 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.36 90.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.05 -36.81 80.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.48 -42.49 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.32 -44.92 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.68 -38.84 92.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.89 -49.84 76.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.197 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.11 -37.69 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.24 -49.18 78.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.09 -36.02 74.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.265 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 88.5 mt -65.45 -51.8 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.303 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 39.9 pt -72.11 -25.22 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.2 -173.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.43 -41.49 84.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 169.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.13 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.239 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.55 -43.69 96.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.24 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -58.53 -39.08 79.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.38 65.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 pt -111.63 24.14 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 16.16 58.41 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 158.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.75 137.29 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.172 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -47.82 119.16 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -173.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.38 -32.71 73.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -173.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.24 -52.81 63.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -174.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.71 -41.98 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.46 -39.28 91.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -63.46 -37.05 85.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.16 -40.28 93.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.236 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.1 mtm -70.23 -36.8 74.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.41 -46.9 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.17 -49.97 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.263 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.34 -47.14 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.75 -40.84 92.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.261 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.41 -40.57 97.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.73 -40.62 97.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.19 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 83.4 mt -65.87 -39.97 91.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.5 -40.68 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.91 -34.57 59.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.253 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 37.4 t -55.51 -42.18 74.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.23 -17.23 64.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 -175.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.82 -9.67 58.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -85.17 -14.78 45.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.242 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.987 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -175.2 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -136.55 18.31 3.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 111.224 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -77.08 162.01 27.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.219 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -52.48 -36.9 56.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.93 -33.69 84.59 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.86 -35.23 38.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 111.263 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.07 -40.72 96.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -64.83 -43.8 91.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -58.26 -47.78 82.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 174.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -58.41 -40.99 83.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.238 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.8 -36.34 83.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -67.91 -42.67 80.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.236 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -70.1 -39.29 75.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.01 -44.72 96.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.283 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -57.98 -47.43 83.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.186 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.89 -45.6 71.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.32 -44.2 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.15 -48.01 74.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.203 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.1 -43.97 91.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.44 -38.56 91.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.88 -49.96 74.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.02 -41.21 95.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -176.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.25 -39.2 92.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.34 84.7 7.73 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.255 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -55.21 135.59 69.61 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.677 1.585 . . . . 0.0 111.247 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.1 p -162.97 156.85 20.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.22 -38.66 77.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.202 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.23 -51.74 68.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.63 -33.29 74.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.44 -49.11 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.72 -43.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.191 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.17 -39.61 95.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -47.18 86.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.77 -47.02 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.3 -51.76 61.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.71 80.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.18 -45.61 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -58.92 -45.86 91.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.75 -42.11 97.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -59.41 -48.15 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -58.79 -41.04 85.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.03 93.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.27 -39.5 94.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.252 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.27 -47.4 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -70.62 -42.44 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -175.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.98 -36.56 83.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.32 -49.35 19.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.68 -23.09 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 -173.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -46.2 -48.64 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.221 168.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.65 95.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.18 -46.97 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.53 -45.54 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.11 -40.0 96.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.57 -41.13 98.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -59.28 -41.75 89.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.43 90.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -67.99 -36.78 80.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 83.8 mt -62.44 -42.5 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.3 -44.97 96.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.58 -38.86 92.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.91 -49.82 76.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.09 -37.7 77.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.32 -49.17 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.88 74.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.59 -51.74 59.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.231 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.16 -25.21 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.36 -41.59 84.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 169.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.22 78.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.244 175.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.6 -43.71 96.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -58.45 -39.11 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.213 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.95 -27.26 65.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 43.7 pt -111.69 24.19 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 -173.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.92 16.02 58.59 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 159.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.62 137.26 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -47.8 119.14 2.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 -173.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.3 -32.83 73.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.15 -52.8 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 -174.131 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.81 -41.96 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.44 -39.28 91.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -63.5 -36.97 85.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.24 -40.21 93.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.199 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 70.2 mtm -70.26 -36.79 74.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.241 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.35 -46.97 79.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.18 -49.96 73.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.236 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.36 -47.18 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.68 -40.86 92.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.243 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.43 -40.59 97.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.79 -40.48 97.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.248 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 83.3 mt -65.93 -39.95 90.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.47 -40.78 79.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.7 -34.77 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 38.1 t -55.46 -42.14 73.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.235 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.31 -17.14 64.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.272 -175.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.86 -9.7 58.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -85.16 -14.72 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.915 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -175.217 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -157.86 141.3 15.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.74 0.305 . . . . 0.0 111.263 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -70.07 144.54 52.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.249 -176.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.2 mt -57.94 -32.35 67.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.32 -28.66 69.69 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -74.05 -40.03 63.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 111.215 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.99 -42.28 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 175.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' A' ' 12' ' ' GLU . 64.8 tttm -59.52 -49.57 77.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.22 -48.24 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.282 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -59.14 -42.38 90.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.69 -40.43 94.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 98.4 mt-10 -62.79 -41.49 99.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.199 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.21 -37.68 75.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.48 -47.12 87.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.21 -37.02 82.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.248 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.24 -49.93 74.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.19 -41.96 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 tp -53.94 -51.14 64.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.51 -40.09 81.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -178.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.77 -41.03 97.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 176.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.3 -42.8 92.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.82 -35.53 76.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -80.17 -48.95 12.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.27 83.54 17.52 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.256 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -56.53 143.21 88.89 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.703 1.602 . . . . 0.0 111.185 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.4 p -160.47 150.0 17.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.279 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.72 -39.28 80.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -58.31 -52.97 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.242 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.9 -29.97 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.282 -174.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.03 -46.49 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.17 -40.86 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.227 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.26 -39.94 92.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.18 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.5 -44.14 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -49.95 -52.48 33.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.39 96.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.155 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.57 -46.7 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.183 -177.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.16 -46.93 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -69.93 -34.92 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.13 -47.39 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.04 -41.58 88.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.82 94.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.75 -42.44 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.07 -54.42 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.3 t -59.92 -46.9 93.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -172.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -66.35 -34.83 78.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.29 -55.03 13.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 pt -67.42 -24.96 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -171.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -57.54 -38.01 74.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.67 71.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.193 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.95 -43.8 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.176 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.21 -46.23 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.58 -42.26 98.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -71.39 -31.13 66.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.481 HD22 ' HA ' ' A' ' 55' ' ' ASN . 7.6 m120 -59.72 -52.17 66.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 174.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.84 -37.2 73.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.16 -52.55 26.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.25 -31.35 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.206 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.03 -48.05 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.255 175.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -60.02 -35.44 75.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.229 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -57.34 -29.32 63.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.222 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.82 -26.81 68.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.55 -47.73 83.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.11 88.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.16 -46.53 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.8 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.218 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.84 -40.23 94.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.96 97.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.276 175.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.3 mt -67.3 -36.33 81.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.266 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.84 -40.78 95.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.11 -46.99 84.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.241 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.5 tp -70.8 -25.98 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.271 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.04 55.59 1.12 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 166.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.2 m -80.19 169.12 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.191 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -54.77 125.55 20.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -176.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.81 -32.25 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.243 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.11 -23.26 65.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -175.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.6 mm -90.22 -39.14 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.25 -41.02 87.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.252 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.2 -40.58 90.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -71.08 -43.2 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.191 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.2 -38.7 92.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.174 -177.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.96 -39.07 93.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.39 -41.22 93.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.55 -38.9 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.41 -51.46 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.15 -39.15 93.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.25 -40.62 74.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.4 mt -59.68 -43.62 93.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.68 -41.24 96.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.49 -43.99 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.0 t -72.07 -55.35 7.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.59 -36.73 84.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -87.41 3.8 45.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -173.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -104.42 -48.11 3.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.254 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.033 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.293 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -157.84 141.29 15.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.718 0.294 . . . . 0.0 111.261 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -70.1 144.52 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.198 -176.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.2 mt -57.95 -32.35 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.16 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.37 -28.58 69.62 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -74.1 -40.09 62.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.99 -42.23 97.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.411 ' NZ ' ' OE2' ' B' ' 12' ' ' GLU . 64.8 tttm -59.54 -49.63 77.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -54.1 -48.28 70.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.303 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -59.27 -42.32 90.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.74 -40.33 94.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.276 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.411 ' OE2' ' NZ ' ' B' ' 8' ' ' LYS . 98.4 mt-10 -62.88 -41.44 99.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.26 -37.61 74.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.172 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.46 -47.14 87.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.2 -37.09 83.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.18 -49.95 74.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.22 -41.97 92.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 tp -53.94 -51.13 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.46 -40.15 81.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.83 -41.05 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.29 -42.79 92.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.8 -35.58 76.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -80.2 -48.89 12.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.244 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.26 83.5 17.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -56.48 143.26 88.2 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.64 1.56 . . . . 0.0 111.208 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -160.53 150.03 17.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.301 175.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.8 -39.17 80.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.46 -52.88 63.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -71.91 -29.92 64.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.254 -174.113 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.11 -46.46 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.7 t -64.29 -40.77 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.28 -39.91 92.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.21 82.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 90.9 mt -60.44 -44.12 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -49.95 -52.49 33.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.229 175.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.36 97.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 80.8 mt -64.56 -46.66 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.16 -46.81 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -70.05 -34.95 73.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.02 -47.47 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.08 -41.53 88.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.85 94.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.76 -42.4 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.4 ' O ' HG12 ' B' ' 48' ' ' ILE . 93.3 mt -62.05 -54.57 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.186 178.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.86 -46.93 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 -172.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -66.27 -34.94 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.11 -55.17 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.4 HG12 ' O ' ' B' ' 44' ' ' ILE . 37.6 pt -67.35 -24.98 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -171.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -57.5 -38.02 73.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.63 71.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.283 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.98 -43.77 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.4 t -58.13 -46.33 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.62 -42.2 98.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.39 -31.19 67.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASN . . . . . 0.442 ' HA ' HD22 ' B' ' 55' ' ' ASN . 7.6 m120 -59.61 -52.22 66.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 174.07 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.24 73.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.198 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.08 -52.58 27.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.2 -31.37 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.17 -47.94 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.256 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -60.0 -35.48 75.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.21 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.31 -29.33 63.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 178.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.9 -26.77 68.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.57 -47.69 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.222 175.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.09 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.24 -46.5 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.84 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.93 -40.19 94.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.93 97.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.267 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.38 -36.27 81.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.95 -40.79 95.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.0 -47.1 84.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.25 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 7.6 tp -70.8 -25.95 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.01 55.6 1.12 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 166.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 m -80.23 169.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 111.133 173.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -54.76 125.56 20.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.88 -32.22 67.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.19 -23.13 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 -175.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 45.3 mm -90.21 -39.21 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.12 -41.14 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.28 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.12 -40.61 90.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.244 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -71.11 -43.23 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.222 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.15 -38.69 92.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.92 -39.14 93.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.43 -41.12 93.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.6 -38.8 90.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 58.6 tp -58.46 -51.44 69.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.11 -39.21 94.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.201 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.15 -40.7 74.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 41.4 mt -59.69 -43.54 94.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.78 -41.15 96.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.255 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.52 -44.0 72.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.248 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 42.9 t -72.07 -55.35 7.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.55 -36.74 84.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -169.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -87.45 3.83 45.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -104.45 -48.02 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.295 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.056 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.326 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -157.92 141.26 15.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.729 0.299 . . . . 0.0 111.28 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -70.08 144.54 52.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.239 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.3 mt -57.94 -32.38 67.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.36 -28.61 69.66 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -74.08 -39.98 63.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 111.243 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.05 -42.25 97.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.248 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' LYS . . . . . 0.427 ' NZ ' ' OE2' ' C' ' 12' ' ' GLU . 64.7 tttm -59.51 -49.56 77.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.195 177.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.3 -48.19 71.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -59.26 -42.27 90.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.7 -40.36 94.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.304 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' GLU . . . . . 0.427 ' OE2' ' NZ ' ' C' ' 8' ' ' LYS . 98.4 mt-10 -62.93 -41.44 99.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.24 -37.65 75.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.41 -47.15 87.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -67.17 -37.09 83.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.2 -49.99 74.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.21 -41.9 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 40.9 tp -53.93 -51.14 64.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.54 -40.05 81.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.73 -41.06 97.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 176.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.5 mt -65.34 -42.76 92.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.92 -35.51 76.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -80.13 -48.87 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.318 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.3 83.53 17.47 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.232 -174.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -56.53 143.29 88.58 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.623 1.549 . . . . 0.0 111.273 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 87.5 p -160.51 150.05 17.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.268 175.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.79 -39.18 80.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.243 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -58.44 -52.88 63.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.94 -29.92 64.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.274 -174.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.09 -46.52 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 65.5 t -64.22 -40.78 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.21 -39.95 92.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.07 83.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.51 -44.14 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -49.97 -52.53 32.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.41 96.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 80.1 mt -64.6 -46.7 91.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.16 -46.85 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -177.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -70.03 -34.91 73.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.07 -47.4 85.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 173.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.1 -41.46 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.82 94.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.8 -42.39 99.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.403 ' O ' HG12 ' C' ' 48' ' ' ILE . 93.2 mt -62.06 -54.59 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.88 -46.86 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -172.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.31 -34.86 78.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.26 -55.1 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 177.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.403 HG12 ' O ' ' C' ' 44' ' ' ILE . 37.6 pt -67.34 -25.02 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 -171.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -57.56 -37.93 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.63 71.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.236 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.94 -43.79 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.2 -46.29 88.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.54 -42.23 98.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.205 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.41 -31.17 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' ASN . . . . . 0.472 HD22 ' HA ' ' C' ' 55' ' ' ASN . 7.6 m120 -59.63 -52.22 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.226 174.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.16 73.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.13 -52.59 26.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.224 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.24 -31.35 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -66.2 -47.95 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -59.93 -35.56 75.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -57.24 -29.41 63.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.223 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.82 -26.74 68.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.6 -47.82 83.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.05 87.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.281 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.25 -46.54 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.76 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.84 -40.16 94.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.92 97.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 175.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.33 -36.3 81.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.89 -40.82 95.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 175.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.1 84.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.234 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 7.5 tp -70.66 -26.06 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.262 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.11 55.62 1.11 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 166.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 21.1 m -80.22 169.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 111.142 173.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -54.74 125.6 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 -176.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.93 -32.18 67.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.205 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.1 -23.28 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -175.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 45.4 mm -90.18 -39.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.206 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 84.2 mt -59.26 -41.01 87.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.25 -40.51 90.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -71.17 -43.12 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -176.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.28 -38.63 91.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.95 -39.15 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.188 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.41 -41.13 93.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.63 -38.85 90.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.42 -51.51 69.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.14 -39.17 93.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.31 -40.51 74.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.79 -43.52 94.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 175.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.74 -41.21 96.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.231 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.48 -44.06 72.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.229 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 42.7 t -71.98 -55.42 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.47 -36.76 84.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.237 -169.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -87.46 3.86 45.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 -173.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -104.44 -48.11 3.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.219 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.086 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.347 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.4 p -66.03 -14.29 61.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 111.169 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -64.11 -9.42 16.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.226 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp -51.99 -33.05 36.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.225 174.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.74 -32.08 80.38 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.51 -30.62 26.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 0.0 111.126 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.2 -46.37 89.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 172.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -54.05 -51.78 62.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.269 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -54.67 -46.97 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -56.62 -40.69 75.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 mt -69.44 -33.52 73.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.261 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.19 -40.19 95.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.274 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.04 -37.57 75.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.22 -38.0 82.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -60.09 -44.34 94.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.51 -38.39 84.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.91 -46.29 92.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 174.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.19 -47.28 81.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.16 -41.65 88.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.28 -40.66 96.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 174.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.15 -48.09 83.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.12 -43.1 88.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.247 -176.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.52 -39.29 88.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.67 85.6 7.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.2 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.29 136.54 73.97 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.795 1.663 . . . . 0.0 111.147 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.4 p -161.99 156.18 21.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.26 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.56 -38.8 78.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.75 -51.1 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.11 -32.72 72.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -175.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.15 -49.06 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.37 -43.46 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.13 -39.13 93.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -49.76 74.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.186 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.03 -45.92 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.189 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.03 -53.7 31.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.268 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.51 90.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.5 -44.53 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.0 t -59.46 -46.19 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.243 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.35 -38.96 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.57 -38.1 88.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.15 -38.89 84.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.294 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.77 95.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.4 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.78 -45.26 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.255 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.59 -42.65 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.92 -39.02 93.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.96 -41.37 99.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.262 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.89 -46.99 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.29 -43.01 64.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.48 80.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.501 HG21 HG21 ' B' ' 51' ' ' ILE . 29.5 mt -67.17 -44.44 87.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.22 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.39 -45.56 85.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.199 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -68.97 -43.55 74.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -54.78 -42.93 72.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -58.96 -44.65 91.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.211 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.8 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.02 -37.41 81.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.76 -42.41 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.8 t -57.55 -45.3 86.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -65.98 -36.42 83.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.89 -43.5 98.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -60.22 -39.93 88.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -58.36 -48.54 80.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.98 82.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.204 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.01 -46.65 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.29 -42.6 94.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.236 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.47 -39.75 92.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.08 98.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 174.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.93 -37.53 87.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.228 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.21 -42.22 96.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.43 -37.15 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.47 -44.58 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.259 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.94 40.13 0.92 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.3 t -63.58 142.85 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 171.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -37.86 131.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.211 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -56.55 -44.77 81.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -175.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.428 ' NZ ' ' OE2' ' A' ' 81' ' ' GLU . 66.0 tttm -58.72 -47.1 85.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 87.1 mt -59.02 -44.18 90.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.254 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.0 -44.02 97.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.242 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.41 -41.52 98.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -178.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.428 ' OE2' ' NZ ' ' A' ' 77' ' ' LYS . 97.1 mt-10 -61.37 -42.03 98.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.216 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.37 -40.3 89.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.24 -44.74 82.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.71 -43.05 94.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.93 -41.0 91.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.8 tp -68.49 -44.42 74.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.91 -39.77 93.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.56 -39.29 84.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.17 -44.49 97.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.09 -47.35 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.23 -36.9 81.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.305 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.9 p -72.1 -11.82 60.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.19 -25.25 66.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.209 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -79.87 -16.81 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.189 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -117.48 -64.03 1.36 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 -172.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.982 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.745 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 86.6 p -66.1 -14.23 61.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.77 0.319 . . . . 0.0 111.136 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -64.1 -9.4 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 28.7 tp -52.0 -33.03 36.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.82 -32.05 80.44 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.39 -30.71 27.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.159 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.13 -46.31 89.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.296 172.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -54.18 -51.63 63.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.252 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -54.86 -46.85 74.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.212 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.4 m -56.64 -40.69 75.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.7 mt -69.47 -33.49 72.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.25 -40.19 95.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.2 -37.98 81.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -59.98 -44.54 94.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 175.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.42 -38.37 83.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.25 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.0 -46.22 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.222 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.26 -47.24 81.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -59.1 -41.72 88.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -177.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.3 -40.59 96.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 174.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.24 -48.06 83.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.203 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.14 -43.11 88.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.5 -39.35 88.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 -178.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.65 85.64 7.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -55.24 136.46 73.51 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.803 1.668 . . . . 0.0 111.106 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.6 p -161.93 156.13 22.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.245 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.45 -38.75 78.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.83 -51.08 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.227 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -69.2 -32.61 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -175.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.0 mt -63.17 -49.06 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.31 -43.49 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.22 -39.09 93.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.74 74.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.266 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.03 -45.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.293 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.16 -53.71 32.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.63 90.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.56 -44.38 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.295 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.52 -46.22 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.194 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.34 -38.96 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.52 -38.25 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.02 -39.02 84.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.283 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.78 95.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.42 -38.36 90.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.87 -45.14 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.241 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.0 t -59.59 -42.66 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.97 -39.03 93.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.31 99.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.251 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.99 -46.91 90.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.37 -43.04 64.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.51 80.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.501 HG21 HG21 ' A' ' 51' ' ' ILE . 29.5 mt -67.21 -44.41 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 178.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.38 -45.65 85.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.227 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -68.82 -43.59 75.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -54.88 -42.79 72.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -58.97 -44.81 91.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.91 88.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.24 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.0 -37.36 81.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.87 -42.34 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.53 -45.33 86.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.98 -36.39 83.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.261 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.88 -43.39 98.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.236 174.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.24 -39.92 88.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -58.46 -48.51 80.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.99 82.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.98 -46.74 93.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.27 -42.49 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.323 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.55 -39.8 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.06 98.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 173.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.01 -37.48 87.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.194 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.22 -42.29 96.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 175.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.35 -37.21 77.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 90.2 mt -66.47 -44.6 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.92 40.11 0.92 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t -63.55 142.88 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 111.17 171.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -37.9 131.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.43 -44.88 80.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 -175.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' B' ' 81' ' ' GLU . 66.0 tttm -58.64 -47.16 85.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -175.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.0 -44.24 90.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.02 -43.93 97.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.287 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.33 -41.64 98.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.223 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' B' ' 77' ' ' LYS . 97.2 mt-10 -61.35 -42.03 98.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.286 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.29 -40.29 89.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.194 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.22 -44.74 82.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.242 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.79 -42.93 94.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.201 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -66.01 -40.89 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.205 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 45.9 tp -68.58 -44.43 74.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.83 -39.85 93.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.248 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.58 -39.2 84.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.21 -44.54 97.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -55.1 -47.29 75.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.3 -36.91 81.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 57.1 p -72.18 -11.72 60.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -172.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.34 -25.18 66.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -79.79 -16.87 54.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.218 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -117.47 -63.93 1.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.248 -172.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.019 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -172.766 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.562 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -66.17 -14.15 61.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.728 0.299 . . . . 0.0 111.151 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -64.05 -9.5 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.245 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp -51.92 -33.04 35.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.88 -31.97 80.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.5 -30.58 27.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 0.0 111.161 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 tp -62.28 -46.29 89.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.232 172.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -54.19 -51.65 63.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.227 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -54.71 -46.94 74.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.5 m -56.64 -40.64 75.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.22 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -69.58 -33.42 72.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.2 -40.26 95.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.03 -37.51 75.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.2 -38.0 81.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.261 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -60.03 -44.46 94.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.46 -38.44 84.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.93 -46.18 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.24 -47.3 81.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.08 -41.64 88.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.34 -40.57 96.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.25 -48.05 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.1 -43.18 88.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.53 -39.24 88.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.66 85.66 7.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.258 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.34 136.49 73.83 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.747 1.632 . . . . 0.0 111.21 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 95.3 p -161.93 156.14 22.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.273 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.46 -38.8 78.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.259 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.68 -51.2 70.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.259 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.08 -32.7 72.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.207 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 82.5 mt -63.1 -49.09 84.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.3 -43.51 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.189 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.12 -39.14 93.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.7 74.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.294 175.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.05 -45.87 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.15 -53.6 33.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.228 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.58 91.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.53 -44.45 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 75.3 t -59.59 -46.09 93.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.281 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.33 -39.02 93.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.53 -38.15 88.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -60.08 -38.95 84.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.85 95.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.35 -38.44 91.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.83 -45.19 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.227 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 44.2 t -59.56 -42.62 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.95 -39.0 93.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.213 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.41 99.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.228 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.88 -46.99 90.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.35 -42.98 64.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.53 -44.38 80.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.498 HG21 HG21 ' B' ' 51' ' ' ILE . 29.3 mt -67.21 -44.48 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 51.3 t -57.36 -45.61 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.212 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -68.81 -43.61 75.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.82 -42.89 72.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -58.96 -44.78 91.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.9 88.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -67.96 -37.41 81.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.268 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -61.88 -42.32 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.229 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 42.8 t -57.49 -45.37 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.96 -36.45 83.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -62.93 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.218 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.3 -39.9 88.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -58.42 -48.53 80.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.53 -39.03 82.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.95 -46.64 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.22 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.32 -42.57 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.237 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.59 -39.64 91.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.01 98.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.96 -37.51 87.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.269 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.15 -42.23 96.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.242 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.41 -37.07 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.235 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.55 -44.63 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.92 40.19 0.92 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 52.2 t -63.68 142.91 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.376 . . . . 0.0 111.073 171.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -37.89 131.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -56.48 -44.84 81.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 77' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' C' ' 81' ' ' GLU . 66.0 tttm -58.67 -47.07 85.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.249 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.02 -44.26 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.97 -43.94 97.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.297 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.37 -41.61 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 81' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' C' ' 77' ' ' LYS . 97.1 mt-10 -61.43 -41.95 97.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.183 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.46 -40.25 89.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.23 -44.74 82.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.79 -42.94 94.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.94 -41.0 91.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.56 -44.36 74.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.194 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.96 -39.79 93.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.52 -39.27 85.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.22 -44.48 97.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.246 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.14 -47.27 75.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.32 -36.91 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.264 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 56.9 p -72.13 -11.74 60.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 -173.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.27 -25.23 66.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -79.86 -16.78 54.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.23 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -117.5 -63.98 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.201 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.992 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.715 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' N ' ' OXT' ' C' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -62.83 -22.14 66.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.347 . . . . 0.0 111.199 -177.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -57.19 -20.52 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.2 -32.04 34.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.88 -56.47 18.4 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.74 -37.22 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.76 0.314 . . . . 0.0 111.139 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.68 -49.36 77.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.261 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.84 -44.28 86.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -56.05 -49.59 73.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -60.41 -36.66 78.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.573 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.5 tm? -63.15 -46.88 85.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -36.98 85.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.69 -38.39 83.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.211 175.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.5 tp -60.22 -43.58 95.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 174.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.58 -46.34 80.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.204 174.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -55.15 -46.18 75.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.51 -43.11 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 tp -55.12 -49.54 71.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.98 -40.38 88.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.31 -39.86 93.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.42 -50.31 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.01 -40.33 96.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -175.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.46 -41.54 84.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.226 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.46 79.51 35.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.94 135.08 66.89 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.69 1.593 . . . . 0.0 111.159 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.9 p -165.58 156.97 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.66 -38.21 77.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.249 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.66 -51.55 69.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.5 -33.56 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.28 -49.49 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.94 -43.07 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.09 -38.61 91.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.95 88.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.211 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.35 -46.48 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.93 -53.52 48.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.84 83.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.96 -46.04 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.249 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.28 -43.81 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.96 -40.68 96.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -58.99 -50.4 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 174.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -58.99 -43.79 91.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.7 86.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.218 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.7 -37.43 82.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.51 -46.36 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.83 -41.66 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.286 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -62.06 -43.56 98.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.98 80.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.26 -40.79 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.63 -51.94 34.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.27 171.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.43 93.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.7 mt -64.43 -45.69 95.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.213 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.93 -44.08 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.84 -40.74 96.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 176.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.56 -43.57 98.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 176.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -59.65 -43.35 93.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.88 95.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -65.03 -40.0 94.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.27 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.91 -41.69 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.184 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.0 t -57.61 -47.67 84.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.77 -36.09 81.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.36 -48.44 79.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.53 -40.43 91.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.218 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.9 -51.78 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.04 80.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.89 -46.76 90.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.86 -44.54 99.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.268 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.78 -37.03 85.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 176.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.92 95.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.33 -39.13 93.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.28 -42.38 98.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.33 82.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.89 -42.2 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.75 33.02 1.34 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.88 143.99 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.274 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' A' ' 77' ' ' LYS . 19.0 t0 -43.11 129.86 4.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.235 176.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.49 -28.58 70.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 -173.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' NZ ' ' OD2' ' A' ' 75' ' ' ASP . 38.4 mtmm -61.92 -56.98 13.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.262 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.74 -30.84 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.6 -48.48 80.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -57.03 -47.93 79.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 176.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -56.24 -48.9 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.4 mtm -62.13 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 -175.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.04 -42.37 97.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.171 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.12 -41.52 81.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.266 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.88 -39.01 87.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.185 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.78 -47.22 78.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.13 -35.32 75.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.58 -38.51 87.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.194 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.12 -49.16 78.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 171.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -56.0 -48.88 75.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.226 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.78 -43.88 94.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -60.18 -39.67 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.272 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.11 -49.16 71.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.55 -33.45 66.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -171.341 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.63 5.24 48.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.27 -170.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.442 ' OXT' ' N ' ' B' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.199 -2.059 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.442 ' N ' ' OXT' ' A' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.6 p -62.77 -22.17 66.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 111.175 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -57.16 -20.51 26.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.8 tp -52.13 -32.11 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.218 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.85 -56.54 17.96 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.62 -37.27 84.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.67 -49.45 77.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.82 -44.28 86.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -55.97 -49.59 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.5 m -60.38 -36.67 78.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.571 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.5 tm? -63.22 -46.83 85.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -37.04 85.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.55 -38.42 84.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.182 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 40.1 tp -60.33 -43.56 96.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 174.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.56 -46.35 80.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -55.1 -46.18 75.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.61 -43.07 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 tp -55.2 -49.49 71.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.213 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.02 -40.34 88.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.35 -39.85 92.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.37 -50.2 74.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.19 -40.23 95.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -175.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.53 -41.46 84.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.249 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -137.53 79.52 35.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -54.92 135.1 66.92 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.676 1.584 . . . . 0.0 111.124 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.9 p -165.62 157.01 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.69 -38.24 77.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.242 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.66 -51.51 69.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -65.46 -33.57 76.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.5 mt -63.32 -49.49 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.4 t -64.96 -43.1 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.14 -38.46 91.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.99 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.226 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.38 -46.4 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.99 -53.57 48.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.77 82.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -63.98 -46.15 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.07 -43.83 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.277 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.04 -40.69 96.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.89 -50.44 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -58.96 -43.84 91.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.58 86.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -67.8 -37.45 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.44 -46.5 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.79 -41.63 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.247 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -62.05 -43.56 98.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.94 -36.92 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.221 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.29 -40.8 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.228 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.65 -51.91 34.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.276 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.5 93.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.28 -45.76 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.9 -44.14 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.84 -40.75 96.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.19 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.45 -43.55 98.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.229 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -59.8 -43.33 94.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.176 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.74 95.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -65.15 -39.93 93.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.94 -41.66 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 45.8 t -57.59 -47.7 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.75 -36.14 81.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.27 -48.46 79.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.195 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.56 -40.39 91.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.172 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.99 -51.75 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 176.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.09 79.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.255 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.85 -46.77 90.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.96 -44.46 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.213 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.85 -37.07 85.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.8 95.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.247 175.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.33 -39.22 93.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.28 -42.37 98.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.213 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.27 82.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.06 -42.07 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.237 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.69 33.06 1.34 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.9 144.0 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.262 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ASP . . . . . 0.409 ' OD2' ' NZ ' ' B' ' 77' ' ' LYS . 19.0 t0 -43.08 129.91 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 176.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.53 -28.66 70.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -173.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.409 ' NZ ' ' OD2' ' B' ' 75' ' ' ASP . 38.4 mtmm -61.89 -57.0 13.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.283 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.59 -30.94 51.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -58.62 -48.43 81.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -57.01 -47.94 79.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -56.25 -48.85 75.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.267 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.4 mtm -62.14 -43.41 98.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.01 -42.39 97.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -177.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.15 -41.52 81.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.82 -39.09 87.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.73 -47.18 79.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.19 -35.24 74.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.59 -38.59 87.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.01 -49.16 78.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.06 -48.89 75.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.191 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.77 -43.88 94.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 74.2 m -60.22 -39.64 87.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 60.4 tp -65.16 -49.2 70.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.46 -33.46 67.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.249 -171.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.71 5.36 48.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.21 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 96' ' ' GLY . . . . . 0.437 ' OXT' ' N ' ' C' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.199 -2.049 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 1' ' ' GLY . . . . . 0.437 ' N ' ' OXT' ' B' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.577 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -62.9 -22.01 66.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 0.0 111.145 -177.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -57.2 -20.48 27.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.24 -32.01 34.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.248 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.88 -56.52 18.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.7 -37.13 84.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.74 -49.43 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.86 -44.23 86.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -56.13 -49.49 73.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -60.45 -36.71 78.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.565 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.5 tm? -63.07 -46.87 85.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.264 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.14 -36.98 85.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.61 -38.41 83.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.228 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 40.2 tp -60.26 -43.58 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 174.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.6 -46.32 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.181 174.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -55.17 -46.22 75.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.5 -43.12 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.2 -49.44 71.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.249 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.06 -40.37 89.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.3 -39.92 93.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.33 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 -175.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.54 -41.49 84.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.48 79.51 35.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -54.94 135.06 66.83 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.673 1.582 . . . . 0.0 111.176 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 94.4 p -165.54 157.08 14.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.8 -38.2 78.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.72 -51.49 69.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -65.49 -33.57 76.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.25 -49.51 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.93 -43.13 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.12 -38.51 91.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.2 -47.06 87.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.29 -46.46 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.96 -53.5 48.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.235 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.74 82.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.04 -46.1 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.14 -43.79 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.02 -40.72 96.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -58.98 -50.41 74.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 174.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -59.01 -43.74 91.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.6 86.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -67.79 -37.48 82.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.47 -46.36 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.216 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.91 -41.54 86.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.281 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -62.03 -43.6 98.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.193 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.87 80.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.27 -40.84 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.64 -51.96 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 172.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.46 93.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.189 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.35 -45.76 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.86 -44.15 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.82 -40.72 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.46 -43.66 98.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -59.68 -43.43 94.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.8 95.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -65.09 -39.92 93.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.231 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.99 -41.69 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.49 -47.73 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.244 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.68 -36.19 81.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.196 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.28 -48.45 79.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.234 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.56 -40.42 91.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.167 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.92 -51.83 68.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.13 80.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.217 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.5 mt -64.81 -46.79 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.91 -44.55 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.76 -37.04 85.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.83 95.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.213 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.31 -39.2 93.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.3 -42.37 98.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.19 82.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.03 -42.02 90.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.273 176.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.64 32.96 1.36 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.87 144.01 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.249 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 75' ' ' ASP . . . . . 0.41 ' OD2' ' NZ ' ' C' ' 77' ' ' LYS . 19.0 t0 -43.12 129.89 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.52 -28.57 70.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.204 -173.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 77' ' ' LYS . . . . . 0.41 ' NZ ' ' OD2' ' C' ' 75' ' ' ASP . 38.4 mtmm -61.98 -57.0 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.65 -30.84 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.59 -48.47 80.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -57.08 -47.94 79.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -56.21 -48.84 75.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 74.3 mtm -62.24 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -175.076 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.05 -42.35 97.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -177.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.19 -41.5 81.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.87 -39.04 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.72 -47.25 78.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.15 -35.3 75.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.211 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.41 -38.71 88.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.05 -49.13 78.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 171.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -56.0 -48.92 75.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.201 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.83 -43.84 94.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 74.1 m -60.14 -39.65 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.232 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.18 -49.12 71.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 177.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -72.53 -33.45 66.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -171.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.67 5.29 48.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.184 -170.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 96' ' ' GLY . . . . . 0.44 ' OXT' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.2 -1.989 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' C' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 m -75.98 -19.14 58.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 111.183 -165.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.401 ' ND1' ' O ' ' C' ' 96' ' ' GLY . 9.1 p-80 -70.04 -14.66 62.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.193 -175.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.53 -28.17 69.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.47 -50.74 64.51 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.21 -38.48 90.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.216 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.21 -43.46 94.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.231 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.41 -51.81 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -58.68 -45.67 88.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -63.62 -40.93 98.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.0 mt -61.56 -41.2 97.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.77 -40.49 95.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.12 -41.3 97.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.26 -41.97 94.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.28 -41.21 96.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.209 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.96 -39.15 93.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.5 mt -65.44 -42.49 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.262 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.7 mt -58.9 -41.43 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.24 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.51 -50.25 70.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.19 -40.23 93.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.79 -47.48 80.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.256 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -73.62 -43.95 58.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.48 -39.68 85.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.53 79.13 25.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.202 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -54.08 136.71 68.25 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.727 1.618 . . . . 0.0 111.224 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.6 p -164.06 157.18 17.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.09 -36.41 72.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -58.53 -54.62 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.26 -35.01 73.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.204 -174.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.42 -50.47 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.69 -45.65 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 -177.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.5 -38.85 92.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.213 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.99 71.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.2 mt -62.64 -46.47 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -56.7 -47.15 80.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.32 92.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.61 -43.09 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.235 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.21 -41.99 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.254 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.93 -42.28 93.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -58.63 -49.34 77.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -56.77 -47.89 79.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.85 89.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.224 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -65.56 -40.35 92.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.412 ' O ' HG12 ' A' ' 48' ' ' ILE . 90.5 mt -64.28 -52.93 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.192 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.32 -40.72 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.24 -45.87 91.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -36.62 84.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 44' ' ' ILE . 25.9 mm -62.63 -39.51 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.231 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.78 -45.5 78.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.258 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.41 87.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.195 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.2 mm -61.79 -41.53 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.248 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.2 -44.62 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.33 -40.97 96.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -63.0 -39.1 93.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -63.77 -37.56 87.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.47 -38.93 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -67.3 -35.45 79.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.91 -40.19 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.07 -43.73 93.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 174.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -61.78 -37.4 84.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.66 -49.33 73.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.221 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -58.77 -41.14 85.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -59.54 -54.97 40.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.196 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.41 -37.31 80.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.2 mt -62.4 -47.75 91.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.97 -42.27 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.56 -39.57 91.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.72 97.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.38 -35.79 81.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -65.84 -40.67 91.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.4 95.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -176.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.0 pt -78.46 -20.74 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.12 46.96 1.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 168.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.9 t -60.52 144.39 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 111.17 169.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.77 134.63 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.49 -46.5 76.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.25 -175.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.11 -46.89 84.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.59 -42.56 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.03 -45.12 93.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.226 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.54 -40.31 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.11 -41.84 99.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.204 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.44 -40.32 85.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.02 -39.81 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.73 -50.52 73.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 173.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.31 -38.85 81.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -178.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.66 -50.77 72.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.85 -40.82 92.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.36 -46.62 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.83 -51.54 64.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.35 -42.96 74.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.247 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.58 -36.6 68.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.9 m -61.31 -31.37 71.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.09 -19.06 65.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -82.88 -6.1 59.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -70.46 176.54 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.198 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' B' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.2 -2.0 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.558 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.5 m -75.99 -19.1 58.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 111.192 -165.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' HIS . . . . . 0.402 ' ND1' ' O ' ' A' ' 96' ' ' GLY . 9.1 p-80 -70.08 -14.62 62.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.212 -175.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.58 -28.1 69.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.55 -50.61 65.93 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.24 -38.5 90.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 111.213 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.34 -43.35 94.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.58 -51.72 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -58.66 -45.69 88.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -63.68 -40.92 98.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.149 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.4 -41.31 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.258 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.71 -40.53 95.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.19 -41.12 97.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.256 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 42.7 mt -60.36 -41.99 94.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.32 -41.14 96.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.186 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.01 -39.17 93.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.35 -42.52 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.298 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.91 -41.39 87.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.216 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.62 -50.2 70.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.187 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.12 -40.2 94.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 63.2 tp -63.9 -47.47 80.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.261 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -73.56 -44.0 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -175.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.45 -39.77 85.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.52 79.21 25.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.09 136.71 68.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.755 1.637 . . . . 0.0 111.193 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 90.1 p -164.05 157.25 18.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.2 -36.38 73.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -58.57 -54.53 45.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.34 -34.96 73.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.48 -50.46 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.3 t -64.67 -45.68 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.44 -38.91 92.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.89 71.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.71 -46.5 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -56.63 -47.23 80.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.4 92.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.56 -43.06 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.25 -42.02 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.88 -42.33 93.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 176.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -58.57 -49.38 77.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -56.82 -47.85 79.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.81 89.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.24 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.48 -40.43 93.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.415 ' O ' HG12 ' B' ' 48' ' ' ILE . 90.3 mt -64.35 -52.86 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.226 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.33 -40.72 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -172.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.14 -45.97 91.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.62 84.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.239 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 44' ' ' ILE . 26.0 mm -62.64 -39.47 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.86 -45.43 78.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.33 87.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.244 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 33.9 mm -61.92 -41.54 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.09 -44.72 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.37 -40.93 96.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.96 -39.02 93.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.238 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.93 -37.49 87.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.87 88.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.243 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -67.26 -35.51 79.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.91 -40.2 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.204 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.96 -43.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 174.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -61.87 -37.36 84.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.69 -49.36 73.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -58.73 -41.15 85.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -59.52 -54.99 40.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.44 80.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.238 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 72.6 mt -62.32 -47.86 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.244 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.86 -42.24 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.65 -39.5 91.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.63 98.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.44 -35.78 81.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -65.78 -40.71 92.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.27 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.35 95.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.177 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 pt -78.48 -20.69 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.09 47.02 1.94 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 168.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 38.8 t -60.54 144.39 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.782 0.325 . . . . 0.0 111.191 169.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.77 134.62 0.7 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.42 -46.52 76.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.233 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LYS . . . . . 0.401 ' NZ ' ' OE2' ' B' ' 81' ' ' GLU . 64.9 tttm -58.2 -46.8 85.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 -176.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.66 -42.57 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.99 -45.15 93.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.54 -40.34 94.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' GLU . . . . . 0.401 ' OE2' ' NZ ' ' B' ' 77' ' ' LYS . 97.7 mt-10 -63.12 -41.77 99.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.47 -40.32 85.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.06 -39.72 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.252 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.77 -50.45 73.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.258 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -59.34 -38.87 81.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.64 -50.79 72.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 176.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.78 -40.78 92.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.242 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.41 -46.58 86.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.88 -51.53 64.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.4 -42.86 74.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.57 -36.68 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 66.5 m -61.28 -31.34 71.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.205 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.1 -19.0 65.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.261 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -82.82 -6.22 59.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 -177.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -70.36 176.57 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 177.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' C' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.2 -2.003 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 175.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' B' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.544 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 61.3 m -75.83 -19.27 59.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.22 -165.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' HIS . . . . . 0.407 ' ND1' ' O ' ' B' ' 96' ' ' GLY . 9.1 p-80 -70.01 -14.72 62.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -175.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.59 -28.11 69.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 -176.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.48 -50.69 65.0 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.25 -38.42 90.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 111.257 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.38 -43.41 94.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.39 -51.85 65.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -58.58 -45.75 88.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -63.58 -40.93 98.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.271 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.52 -41.24 97.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.195 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.8 -40.43 95.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.19 -41.25 97.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.29 -41.98 94.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.23 -41.2 96.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.221 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.02 -39.1 92.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.191 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.46 -42.55 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 mt -58.85 -41.42 86.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.247 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.51 -50.33 70.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.09 -40.25 94.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.85 -47.48 80.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -174.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -73.55 -44.03 58.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -175.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.47 -39.73 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.53 79.18 25.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.12 136.68 68.44 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.73 1.62 . . . . 0.0 111.251 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -164.1 157.18 17.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.09 -36.45 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -58.53 -54.55 45.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.36 -34.92 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.196 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.5 -50.36 78.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.77 -45.65 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.43 -38.91 92.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.235 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -50.89 71.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 89.2 mt -62.73 -46.38 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.288 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -56.7 -47.22 80.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.31 92.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.227 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.6 -42.96 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.298 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -61.34 -42.01 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.96 -42.25 93.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 176.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -58.62 -49.32 77.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.237 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -56.74 -47.95 78.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.8 89.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.264 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.52 -40.4 92.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ILE . . . . . 0.409 ' O ' HG12 ' C' ' 48' ' ' ILE . 90.0 mt -64.38 -52.84 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.45 -40.7 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -172.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.13 -45.93 91.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.08 -36.46 84.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.27 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' ILE . . . . . 0.409 HG12 ' O ' ' C' ' 44' ' ' ILE . 25.9 mm -62.8 -39.4 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.79 -45.55 78.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.272 171.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.38 87.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.236 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 mm -61.91 -41.48 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 62.2 t -61.11 -44.72 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.44 -40.85 95.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.95 -39.11 93.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.86 -37.51 87.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.93 88.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.24 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -67.22 -35.51 79.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.92 -40.19 87.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.94 -43.81 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -61.75 -37.47 84.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.66 -49.32 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.24 173.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -58.6 -41.29 85.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -59.47 -55.06 39.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.4 80.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.223 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.36 -47.82 91.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.83 -42.29 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.182 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.62 -39.52 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.224 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.78 97.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.217 173.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.3 -35.75 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -65.9 -40.72 91.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.39 94.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 pt -78.47 -20.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.09 46.84 1.97 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 169.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 38.9 t -60.41 144.37 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.219 169.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.81 134.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.52 -46.52 77.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.216 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.09 -46.9 84.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -176.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.54 -42.57 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.04 -45.16 93.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.47 -40.39 94.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.08 -41.72 99.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.266 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.52 -40.31 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.04 -39.78 93.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.64 -50.62 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 173.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.23 -38.89 81.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.64 -50.81 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.76 -40.82 92.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -58.36 -46.6 85.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.97 -51.45 64.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.145 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.41 -42.98 74.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.44 -36.69 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.241 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 66.5 m -61.23 -31.41 71.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.181 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.12 -19.01 65.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -82.85 -6.2 59.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -70.29 176.52 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.214 177.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 96' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.199 -2.066 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -68.68 156.28 38.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.776 0.322 . . . . 0.0 111.246 168.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -66.2 -43.79 85.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.2 tp -61.29 -46.38 90.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.81 -54.08 40.24 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.79 -32.22 71.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.16 -47.6 79.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.43 -42.43 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -54.02 -46.47 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 174.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -59.41 -39.36 83.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.268 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.32 -41.59 84.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.211 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.88 -37.87 89.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -64.14 -39.99 95.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.61 -39.57 94.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.14 -52.59 64.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -56.48 -48.93 76.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.76 -44.27 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.214 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.75 -46.62 84.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.202 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.35 -39.43 87.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.255 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.62 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.283 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.18 -38.8 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.21 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.69 -37.66 87.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.21 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -80.57 -35.03 34.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.19 94.96 2.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -176.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -81.27 61.45 8.13 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.686 1.591 . . . . 0.0 111.212 -173.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -74.45 155.64 37.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.16 -38.44 79.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.212 175.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.85 -50.3 72.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -64.75 -35.84 82.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.196 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.99 -45.75 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.03 -41.68 90.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.171 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.91 -38.28 87.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.84 82.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.9 mt -60.19 -46.53 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.25 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -49.98 -54.74 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.64 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -177.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.0 mt -64.61 -44.34 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.4 -43.17 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.97 -38.67 92.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 176.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.23 -50.3 73.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.02 -35.78 77.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.17 89.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -66.05 -35.02 79.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.22 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.85 -47.83 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.67 -46.12 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.182 -177.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.42 -37.94 86.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.41 95.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mm -62.61 -42.83 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.19 -48.13 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.226 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.02 83.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.71 -43.13 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.23 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.59 -45.0 97.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.31 -42.11 98.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 177.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.69 -46.41 89.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.225 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.49 -42.42 87.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.37 96.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.58 -37.85 87.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.73 -42.76 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.99 -47.51 91.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.08 -37.46 87.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.295 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -63.36 -49.58 73.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.266 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.07 -39.33 85.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.216 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -55.64 -53.42 56.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.48 85.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.207 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.31 -47.21 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.25 -43.34 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.272 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.46 -40.66 92.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.92 -44.93 96.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.61 -35.09 79.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.185 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.78 -44.46 85.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.47 -34.68 71.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 -175.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.6 pt -88.95 -3.42 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 -175.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.87 47.18 4.87 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 170.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.6 t -72.76 143.72 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.207 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -40.46 129.21 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.43 -38.54 66.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -57.95 -48.11 80.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 -176.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.57 -41.63 92.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.18 -43.06 92.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.63 -43.24 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.96 -44.9 91.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.14 -41.26 94.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.36 -34.82 78.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.26 -45.11 93.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.209 173.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.51 -37.09 85.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.204 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.77 -49.14 73.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.212 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.36 -42.58 98.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.217 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.84 -36.85 82.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.41 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.201 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.97 -32.81 71.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.265 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -56.32 -31.32 63.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.2 p -63.38 -22.1 66.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 92.1 mt -72.79 -17.07 61.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.241 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -88.43 -5.82 58.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.01 -46.55 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.203 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.947 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.218 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -68.66 156.19 38.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.807 0.337 . . . . 0.0 111.231 168.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -66.17 -43.71 86.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.229 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 26.1 tp -61.35 -46.34 90.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.189 176.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.89 -54.02 40.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.79 -32.22 71.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.739 0.304 . . . . 0.0 111.154 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.18 -47.59 79.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.4 -42.54 99.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -53.89 -46.5 71.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -59.41 -39.43 83.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.233 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.26 -41.52 84.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.289 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.94 -37.8 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.296 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.18 -39.99 95.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 173.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.62 -39.54 94.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 177.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -58.17 -52.61 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -56.43 -48.95 75.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.8 -44.27 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.74 -46.57 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.41 -39.37 87.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.264 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.59 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.261 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.1 -38.84 90.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.208 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.64 -37.74 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -80.5 -35.09 35.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.2 95.02 2.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -81.26 61.36 8.11 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.699 1.599 . . . . 0.0 111.226 -173.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 97.7 p -74.39 155.64 37.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.16 -38.44 79.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 175.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.79 -50.37 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -64.67 -35.87 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.0 -45.84 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -66.03 -41.59 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.216 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.98 -38.17 87.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.198 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.33 -47.85 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 173.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.21 -46.48 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.306 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -50.03 -54.71 18.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.219 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.61 83.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 75.0 mt -64.63 -44.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.36 -43.24 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.87 -38.72 91.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.266 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.2 -50.28 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 171.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.02 -35.84 77.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.22 89.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -65.94 -35.09 79.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.219 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.82 -47.85 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.7 t -55.67 -46.22 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.29 -37.99 86.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.36 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.0 mm -62.64 -42.76 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.12 -48.2 71.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.242 172.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.96 83.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.195 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.78 -43.1 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.203 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.56 -44.98 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.197 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.4 -42.08 98.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.75 -46.32 89.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -58.61 -42.33 87.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.21 96.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.208 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.71 -37.85 87.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.64 -42.86 95.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.05 -47.46 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 177.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.03 -37.45 87.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.288 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -63.46 -49.58 73.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.184 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.05 -39.36 85.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.235 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -55.61 -53.43 56.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.284 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.51 85.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.38 -47.19 94.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.17 -43.4 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.223 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.59 -40.59 92.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.98 -44.94 96.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.53 -35.1 79.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.77 -44.51 85.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 174.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -34.71 71.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 41.4 pt -88.9 -3.44 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.89 47.24 4.84 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 170.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 36.8 t -72.74 143.69 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.778 0.323 . . . . 0.0 111.237 170.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -40.48 129.2 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.33 -38.62 66.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -57.91 -48.17 80.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -176.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.64 -41.68 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.13 -43.04 91.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.175 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.56 -43.29 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.94 -44.93 91.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.14 -41.31 94.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.29 -34.81 78.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.34 -45.1 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.229 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.43 -37.14 86.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.183 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.7 tp -55.73 -49.15 73.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.4 -42.57 98.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.176 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.79 -36.89 82.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.45 -43.28 99.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.98 -32.79 71.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.22 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -56.44 -31.3 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 82.2 p -63.39 -21.99 66.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.209 -175.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 92.4 mt -72.92 -17.02 61.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.257 -175.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -88.42 -5.73 58.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.267 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.03 -46.67 5.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.016 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.153 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -68.69 156.22 38.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 111.207 168.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -66.16 -43.74 86.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 26.5 tp -61.29 -46.43 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.189 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.82 -54.08 40.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.71 -32.26 71.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.856 0.36 . . . . 0.0 111.181 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.16 -47.69 78.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.34 -42.52 99.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.206 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -53.83 -46.56 71.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -59.43 -39.37 83.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.241 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.28 -41.6 84.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.92 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.08 -40.02 95.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.63 -39.59 94.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.188 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.06 -52.66 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.213 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -56.49 -48.94 76.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.74 -44.37 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.63 -46.68 83.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.187 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.38 -39.4 87.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.52 -38.22 90.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.16 -38.77 90.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.73 -37.71 87.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.113 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -80.47 -35.15 35.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.12 95.02 2.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.199 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -81.25 61.34 8.11 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.697 1.598 . . . . 0.0 111.221 -173.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -74.39 155.59 37.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 -177.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.09 -38.48 79.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.204 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.82 -50.35 72.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 178.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -64.77 -35.84 82.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.98 -45.75 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.163 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 72.5 t -66.06 -41.66 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.9 -38.21 87.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.73 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.286 173.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.23 -46.49 94.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.275 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -50.03 -54.7 18.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.209 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.6 83.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 75.3 mt -64.56 -44.42 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.34 -43.24 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.92 -38.69 92.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.268 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.21 -50.31 73.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 171.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.99 -35.82 77.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.16 89.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.235 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -66.11 -34.92 79.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.86 -47.9 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.66 -46.13 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.185 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.32 -38.06 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.38 95.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.236 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mm -62.61 -42.75 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.16 -48.25 71.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 172.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.04 83.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.69 -43.25 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.5 -45.04 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.31 -42.08 98.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.75 -46.4 89.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.203 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -58.45 -42.44 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.27 96.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.254 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.72 -37.79 87.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.69 -42.77 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.05 -47.44 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.12 -37.48 87.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -63.42 -49.56 73.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.225 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -60.07 -39.35 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -55.6 -53.47 56.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.55 85.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.202 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.32 -47.15 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.2 -43.39 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.267 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.51 -40.62 92.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.92 96.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 174.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.54 -35.15 79.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.223 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.79 -44.49 85.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.18 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.74 71.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.232 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 41.4 pt -88.88 -3.45 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.92 47.09 4.89 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 170.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -72.67 143.73 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 111.238 170.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -40.49 129.21 2.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.22 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.34 -38.61 66.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.222 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -57.91 -48.19 80.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.53 -41.67 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.11 -43.09 91.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.58 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.87 -44.94 91.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.13 -41.32 94.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.3 -34.77 78.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.43 -44.99 92.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.53 -37.15 85.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.63 -49.21 73.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.235 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.34 -42.61 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.2 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -61.8 -36.87 82.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.36 -43.45 98.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.85 -32.86 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.279 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -56.39 -31.23 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 82.3 p -63.48 -21.96 66.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.158 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.95 -16.95 61.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.268 -175.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -88.49 -5.76 58.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.213 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.03 -46.62 5.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.997 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.155 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.3 p -61.42 -28.31 69.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.221 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -66.99 -35.9 80.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.267 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.15 -38.82 90.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.243 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.63 -52.15 54.69 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 173.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.1 -41.19 87.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.741 0.305 . . . . 0.0 111.216 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.24 -45.25 94.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.2 -40.01 86.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.198 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -58.46 -48.16 81.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 175.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.3 m -57.91 -40.99 81.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.297 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.06 -39.3 94.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -67.35 -41.83 84.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.85 -38.9 83.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.239 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.4 tp -63.23 -40.75 98.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.213 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.44 -48.65 78.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.204 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.82 -39.03 80.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.12 -46.91 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.5 tp -56.46 -45.9 80.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.35 -42.06 90.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.52 -40.93 96.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.238 174.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.63 -50.06 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.42 -41.54 96.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.77 -41.87 74.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.84 80.64 30.2 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -54.01 135.53 64.07 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.72 1.613 . . . . 0.0 111.212 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.3 p -164.76 155.92 14.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.62 -36.93 74.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.32 -52.18 66.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.28 -31.42 68.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -174.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.73 -49.51 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.201 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.07 -43.41 97.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.202 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.68 -38.84 92.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.236 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.9 88.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.226 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 38' ' ' VAL . 86.1 mt -63.02 -47.45 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.08 -52.46 51.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.29 83.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.8 mt -65.14 -44.93 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 34' ' ' ILE . 64.4 t -58.97 -46.15 91.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.235 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.48 -40.72 97.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.89 -41.68 91.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.197 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -55.9 -43.35 77.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.66 89.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.67 -39.98 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.213 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.02 -45.94 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.68 -40.71 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -59.12 -40.52 85.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.275 175.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.28 99.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.231 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.8 mm -58.44 -45.76 89.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.4 -53.56 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.09 -39.37 78.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.03 -48.2 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.39 -44.52 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.265 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.16 -39.65 94.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -61.58 -43.02 99.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.219 176.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.12 -38.37 82.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.06 93.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.09 -37.31 87.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.274 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.25 -43.21 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.69 -46.67 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -66.43 -37.22 84.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.47 -46.47 89.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 172.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.19 -37.29 79.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -58.1 -47.4 83.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 174.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.4 85.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.258 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.17 -45.39 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.23 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.26 -43.44 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.27 -39.58 93.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.93 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -69.71 -43.99 71.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -60.42 -38.34 83.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.73 -25.47 64.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.6 pt -112.07 23.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -173.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.94 22.17 55.83 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 159.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.7 t -64.17 143.92 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.3 . . . . 0.0 111.181 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -43.62 129.58 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.297 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.23 -45.21 94.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.234 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.31 -46.53 88.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.221 -173.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 90.1 mt -59.93 -43.52 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.57 -43.33 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.53 -41.56 97.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.191 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.11 -39.39 94.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.41 -38.75 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.247 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.95 -40.25 97.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.231 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.36 -38.76 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.02 -38.22 87.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.4 mt -69.92 -35.59 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.42 -40.52 97.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -62.28 -42.71 99.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.83 -42.57 99.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -58.99 -46.23 88.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.32 -37.51 83.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.2 t -64.25 -42.12 96.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.14 -24.16 66.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.241 -175.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.67 -29.42 66.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 174.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -95.66 -47.03 6.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 175.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.198 -2.102 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.606 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -61.4 -28.28 69.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 0.0 111.151 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -67.05 -36.0 81.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.193 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.06 -38.87 90.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.209 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.51 -52.27 53.87 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 173.012 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.14 -41.13 87.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.34 . . . . 0.0 111.184 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 68.4 mt -62.21 -45.32 93.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.188 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.21 -40.03 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -58.49 -48.11 81.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 62.3 m -57.95 -41.01 81.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.03 -39.3 94.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -67.41 -41.82 84.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.9 -38.87 83.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.248 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 tp -63.15 -40.78 98.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.242 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.49 -48.55 78.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.81 -39.1 80.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.2 -46.89 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -56.46 -45.83 80.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.23 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.43 -42.02 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.63 -40.83 96.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 174.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.68 -49.99 75.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.226 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.49 -41.6 96.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -175.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.52 -42.09 75.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.69 80.56 31.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -54.02 135.51 64.07 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.745 1.63 . . . . 0.0 111.168 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -164.69 156.01 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.7 -36.94 75.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 178.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.23 -52.14 66.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.179 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.39 -31.3 68.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.217 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.85 -49.47 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.06 -43.41 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.7 -38.85 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.42 -46.84 88.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.237 175.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.99 -47.47 92.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.07 -52.36 51.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -38.21 84.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.08 -44.92 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 64.7 t -59.02 -46.16 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.42 -40.81 98.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.182 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.92 -41.6 91.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -55.92 -43.43 77.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.64 89.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.237 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.61 -40.07 94.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.96 -45.96 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.236 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.74 -40.65 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -59.14 -40.54 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.22 99.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 175.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.49 -45.75 89.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.45 -53.47 57.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.19 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.282 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.13 -48.14 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.54 -44.4 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -64.05 -39.72 94.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.68 -42.93 99.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.213 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -60.18 -38.36 82.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.04 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.09 -37.37 87.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.26 -43.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.86 -46.52 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.253 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -66.47 -37.27 84.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.207 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -60.35 -46.47 89.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.24 -37.27 79.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.238 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -58.13 -47.3 83.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.41 85.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.205 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.25 -45.37 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.19 -43.44 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.246 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.25 -39.69 93.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.02 83.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 80.4 mt -69.64 -43.92 71.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.226 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -60.51 -38.36 84.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.65 -25.52 64.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 45.6 pt -112.05 23.46 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.91 22.14 55.96 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 159.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 37.9 t -64.12 143.9 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.735 0.302 . . . . 0.0 111.214 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -43.61 129.52 5.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.277 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.23 -45.25 93.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -176.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.37 -46.44 88.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.04 -43.48 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 65.7 mt -61.51 -43.25 99.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.75 -41.26 97.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.36 -39.31 94.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.36 -38.81 85.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.99 -40.24 97.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.226 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.32 -38.75 90.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.1 -38.21 88.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.193 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.83 -35.64 74.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.3 -40.59 97.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.305 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.43 -42.55 99.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.217 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.88 -42.56 99.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -59.0 -46.17 88.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.227 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -61.41 -37.46 83.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.22 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.1 t -64.22 -42.2 96.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.13 -24.19 66.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.207 -175.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.5 -29.56 66.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 174.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -95.49 -47.19 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.231 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.019 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.938 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.586 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 83.3 p -61.43 -28.22 69.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.192 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -67.09 -36.0 81.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.14 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.05 -38.87 90.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.241 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.58 -52.11 54.89 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.11 -41.29 87.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.1 -45.29 94.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.25 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.2 -39.99 86.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -58.43 -48.19 81.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 61.9 m -57.94 -40.99 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.265 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.04 -39.28 94.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.47 -41.78 84.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.82 -38.92 83.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 174.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 37.3 tp -63.26 -40.68 98.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.238 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.46 -48.62 78.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.93 -38.95 80.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.22 -46.87 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.216 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 tp -56.41 -45.88 80.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.233 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.34 -42.15 90.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.62 -40.76 96.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.267 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.68 -50.01 75.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.48 -41.6 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.62 -42.01 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.72 80.6 31.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -53.98 135.52 63.89 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.739 1.626 . . . . 0.0 111.164 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -164.8 155.94 14.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.69 -36.86 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.31 -52.12 66.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.156 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -70.4 -31.25 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -174.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.84 -49.5 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.07 -43.41 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.72 -38.82 92.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.185 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.89 88.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.404 ' O ' HG23 ' C' ' 38' ' ' VAL . 85.8 mt -63.0 -47.4 92.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.17 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.19 -52.42 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.27 83.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 76.0 mt -65.1 -44.97 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.404 HG23 ' O ' ' C' ' 34' ' ' ILE . 65.0 t -58.93 -46.2 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.248 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.49 -40.71 97.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.97 -41.61 90.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.223 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -55.96 -43.32 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.72 89.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.61 -39.96 94.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -69.09 -45.96 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.66 -40.74 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -59.14 -40.49 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.246 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.23 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.46 -45.73 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.44 -53.48 57.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.25 -39.22 78.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.16 -48.06 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.57 -44.48 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.23 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -63.96 -39.79 94.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.61 -43.02 99.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.09 -38.38 82.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.92 94.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.1 -37.36 87.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.296 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.26 -43.17 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.72 -46.64 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -66.44 -37.21 84.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.43 -46.5 89.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 172.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.24 -37.25 79.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -58.13 -47.26 83.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.42 85.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.25 -45.32 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.246 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.28 -43.46 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.13 -39.77 93.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.63 -37.95 83.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.128 175.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.63 -44.04 71.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -60.47 -38.31 83.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.62 -25.49 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 45.5 pt -112.14 23.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 -173.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.97 22.01 56.12 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 159.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 37.8 t -64.1 143.92 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 111.205 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -43.6 129.57 5.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.25 -45.28 93.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.29 -46.5 88.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.212 -172.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.94 -43.54 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.218 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.53 -43.22 99.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.69 -41.45 97.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.16 -39.45 94.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 77.2 mtm -67.36 -38.75 85.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.271 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.91 -40.32 97.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.27 -38.84 90.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -62.0 -38.27 87.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.86 -35.57 74.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.267 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.3 -40.64 97.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.281 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.37 -42.57 99.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.22 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 54.0 mt -62.91 -42.57 99.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -59.11 -46.1 89.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.39 -37.47 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.222 178.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 34.0 t -64.27 -42.08 96.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.2 -24.15 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 -175.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.72 -29.38 66.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -95.6 -47.16 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.984 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p -67.2 -17.53 64.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.797 0.332 . . . . 0.0 111.222 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 -66.64 -13.2 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -173.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.26 -23.95 64.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.244 174.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.09 -30.56 5.97 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -75.92 -40.05 54.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 111.222 -175.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.59 -38.06 89.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.224 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.19 -46.9 75.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -55.79 -51.16 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.225 173.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.2 m -61.99 -39.76 93.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.566 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.4 tm? -66.13 -47.65 73.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.244 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.34 -36.91 85.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.0 -37.79 78.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 174.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.08 -43.86 95.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.202 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.89 -46.18 82.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.17 174.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -55.26 -46.02 76.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.79 -43.79 97.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 tp -55.53 -49.44 72.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.188 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.38 -40.79 92.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.198 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.6 -39.22 91.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.09 -49.96 75.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.282 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.55 -40.62 97.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.254 -175.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.29 -41.35 81.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.43 80.01 34.36 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.272 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.62 134.56 62.86 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.62 1.547 . . . . 0.0 111.226 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -164.95 156.26 14.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.237 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.04 -38.61 79.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.02 -51.25 70.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -65.43 -34.34 78.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.47 -48.83 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 177.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.01 -43.83 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.245 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.99 -37.86 89.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.225 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.53 -47.07 87.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 174.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.36 -46.63 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.207 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.29 -53.45 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.172 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.82 83.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.89 -46.38 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.06 -45.58 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.05 -41.5 98.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.44 -50.52 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 174.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.66 -39.99 90.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.58 -42.37 82.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.01 -36.59 80.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.78 -48.21 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.79 -41.31 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.253 -176.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.81 -39.28 93.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 175.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.05 93.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.91 -44.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -64.92 -46.65 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.33 98.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 93.5 mt -67.63 -51.84 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.47 -43.3 94.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.249 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.89 -41.78 99.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -61.83 -41.95 98.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.261 175.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.65 -39.41 93.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.165 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.58 90.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.287 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -66.01 -37.26 85.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.206 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.7 mt -61.55 -42.5 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.03 -45.38 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.2 -39.06 93.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.224 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -57.92 -45.33 86.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.27 -36.03 76.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.265 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -59.72 -45.74 91.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.227 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.92 77.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.189 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.59 -41.95 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.5 -43.58 91.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.11 -39.93 87.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.158 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.67 98.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.225 174.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.3 -40.49 96.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -64.98 -37.27 87.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -36.77 76.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.224 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.0 mm -74.06 -40.14 51.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.184 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.82 41.35 0.85 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.24 140.2 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.724 0.297 . . . . 0.0 111.169 169.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -41.55 127.31 3.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.69 -34.88 73.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.238 -174.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.26 -47.99 80.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.65 -43.64 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.41 -45.39 80.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -64.9 -37.0 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.71 -45.75 85.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 175.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.51 -36.62 83.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.5 -40.87 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.15 -44.67 87.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -56.13 -43.47 78.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -73.17 -39.27 65.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.186 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.07 -46.4 82.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.15 -41.42 99.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.198 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.64 -44.02 87.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -58.24 -43.55 87.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.266 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.15 -46.33 87.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 t -59.69 -40.18 87.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt -86.53 -0.85 56.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.256 -174.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -59.9 130.53 47.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -82.3 151.53 26.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.992 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 175.518 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -67.18 -17.55 64.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.862 0.363 . . . . 0.0 111.203 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -66.58 -13.19 60.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.185 -173.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.33 -23.9 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.221 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.12 -30.47 5.99 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -75.92 -40.14 54.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -175.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.59 -38.05 89.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.14 -46.99 75.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.226 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -55.79 -51.13 68.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -62.06 -39.74 93.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.182 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.565 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.4 tm? -66.11 -47.68 73.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.265 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.33 -36.93 85.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.08 -37.76 78.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.1 -43.87 95.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.87 -46.16 82.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.188 174.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -55.22 -46.09 75.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.74 -43.77 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.0 tp -55.55 -49.37 72.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.42 -40.81 92.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.58 -39.25 91.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.03 -50.05 74.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.61 -40.52 97.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.259 -175.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.26 -41.54 80.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.29 80.05 34.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.236 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -54.66 134.55 62.92 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.704 1.602 . . . . 0.0 111.22 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -164.99 156.24 14.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.251 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.07 -38.57 79.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.98 -51.26 70.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -65.4 -34.41 78.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.5 -48.87 85.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.02 -43.79 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.09 -37.84 88.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.08 87.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.266 174.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.37 -46.68 96.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.23 -53.47 43.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.178 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.83 83.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.88 -46.36 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.7 t -62.03 -45.67 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.223 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -61.96 -41.54 98.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.46 -50.55 73.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.261 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.62 -39.95 90.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.46 82.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.231 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.0 -36.49 80.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.84 -48.22 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.8 -41.35 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.78 -39.23 93.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.06 93.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.98 -44.55 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.99 -46.63 80.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.23 98.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.183 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.9 mt -67.71 -51.77 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -176.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.45 -43.35 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 -176.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.95 -41.71 99.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.94 -41.96 98.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.56 -39.46 93.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.57 90.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.275 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.94 -37.39 85.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 82.9 mt -61.47 -42.53 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.224 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.95 -45.43 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.25 -39.01 93.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -57.89 -45.33 86.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.38 -36.03 77.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -59.67 -45.78 91.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.94 77.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.206 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.64 -41.87 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.51 -43.53 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.18 -39.84 87.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.71 98.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.28 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.25 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -64.97 -37.21 86.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.72 -36.67 77.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.171 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 40.1 mm -74.13 -40.09 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.81 41.27 0.86 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.17 140.17 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.178 169.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -41.5 127.3 3.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.143 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.7 -34.88 73.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.26 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.25 -47.97 80.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.72 -43.56 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.257 177.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.37 -45.49 79.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -175.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.78 -37.1 86.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.65 -45.74 85.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.46 -36.69 83.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.33 -40.99 88.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.178 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.08 -44.82 87.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -56.11 -43.36 78.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -73.28 -39.28 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.0 -46.48 82.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.06 -41.44 99.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.23 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.71 -44.0 87.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -58.14 -43.73 87.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.07 -46.29 88.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.254 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 43.4 t -59.73 -40.23 87.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 77.6 mt -86.5 -0.81 56.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.258 -174.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.0 130.54 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.187 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -82.33 151.61 26.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.005 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 175.705 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -67.2 -17.55 64.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 0.0 111.158 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -66.52 -13.21 60.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 -173.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.4 -23.81 64.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.232 174.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.14 -30.45 6.0 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.01 -40.06 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.746 0.308 . . . . 0.0 111.113 -175.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.63 -38.0 89.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.236 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.21 -46.96 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.213 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -55.8 -51.16 68.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 174.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -62.06 -39.62 93.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.561 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.4 tm? -66.19 -47.65 73.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.238 -176.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -65.35 -36.88 85.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.09 -37.73 78.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.1 -43.88 95.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.86 -46.26 81.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 174.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.21 -46.02 75.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.235 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.7 -43.8 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 tp -55.56 -49.41 72.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.188 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.34 -40.85 92.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.6 -39.23 91.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 175.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.01 -50.03 75.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.62 -40.6 97.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.25 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.25 -41.39 81.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.39 80.02 34.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.265 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -54.6 134.57 62.79 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 121.643 1.562 . . . . 0.0 111.183 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.4 p -164.97 156.26 14.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.02 -38.64 79.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.257 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.98 -51.25 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.207 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.234 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.41 -48.9 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.07 -43.68 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.255 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.11 -37.82 88.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.07 87.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.41 -46.63 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.17 -53.6 41.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.75 -37.79 82.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.327 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.99 -46.29 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.06 -45.62 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.97 -41.55 98.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.42 -50.52 73.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.272 174.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.64 -40.01 90.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.176 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.47 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.221 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.01 -36.47 80.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.83 -48.17 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.85 -41.38 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -176.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.78 -39.26 93.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 175.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -39.09 93.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.91 -44.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.9 -46.65 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.32 98.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 93.4 mt -67.69 -51.7 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 -176.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.54 -43.24 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -41.67 99.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.245 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.94 -41.98 98.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.46 -39.5 93.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.56 90.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 176.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.94 -37.32 85.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.243 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.49 -42.52 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.05 -45.32 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.23 -39.07 93.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -57.9 -45.24 86.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.44 -36.04 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.137 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -59.61 -45.87 90.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.87 77.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 177.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.62 -41.91 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.49 -43.56 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.13 -39.88 87.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.31 -40.52 96.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -64.94 -37.31 87.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.81 76.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.235 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 39.8 mm -74.06 -40.08 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.79 41.26 0.86 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.2 140.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 169.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -41.56 127.31 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.78 -34.79 73.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.228 -174.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.27 -47.96 80.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.69 -43.64 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.255 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.36 -45.45 80.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -175.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.87 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.84 -45.57 86.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 175.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.54 -36.67 83.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.46 -40.9 88.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.01 -44.9 87.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -56.1 -43.43 78.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.14 -39.29 65.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.02 -46.52 82.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.07 -41.41 99.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.25 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.66 -44.04 87.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -58.12 -43.7 87.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.267 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.03 -46.49 87.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 43.2 t -59.59 -40.22 86.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 77.9 mt -86.51 -0.84 56.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 -174.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -59.97 130.6 47.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -82.38 151.55 26.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.993 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.59 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.1 mt . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.815 0.34 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.61 -53.42 46.22 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.23 -37.45 85.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.687 0.279 . . . . 0.0 111.141 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.69 -50.3 69.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.199 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.86 -45.12 95.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.194 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.9 -49.97 73.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.24 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -61.27 -32.67 72.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.2 tm? -62.09 -45.93 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.281 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.81 -36.76 84.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -67.3 -37.38 83.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.04 -43.55 95.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.35 -45.49 80.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.256 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.84 -43.81 77.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.2 -44.46 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.293 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.9 tp -55.05 -48.71 73.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.55 -40.66 88.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.24 -39.35 89.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 175.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.26 -49.95 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.1 -40.57 94.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.87 -38.91 92.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.97 83.73 8.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.247 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -55.59 135.63 70.23 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.75 1.633 . . . . 0.0 111.198 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -162.79 156.41 20.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.258 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.62 -38.36 77.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.19 -51.81 68.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.237 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.88 -33.84 76.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.5 -49.18 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.1 t -64.4 -43.57 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.2 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.04 -38.13 89.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.09 87.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.67 -46.57 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.73 -54.19 31.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.25 83.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.4 mt -64.15 -46.27 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.97 -43.99 99.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.24 -41.32 96.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.06 -42.59 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 174.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -58.2 -37.14 74.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.13 82.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -73.71 -34.87 65.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.293 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.425 HG23 HD11 ' C' ' 48' ' ' ILE . 63.4 mt -60.52 -46.93 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.239 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.69 -46.35 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -67.25 -38.02 84.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -174.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.0 -34.86 75.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.419 HD11 HG23 ' B' ' 44' ' ' ILE . 74.4 mt -65.2 -48.96 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 170.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -62.27 -51.19 68.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.227 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.58 -37.53 75.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.99 -44.67 95.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.178 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.47 -43.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.84 -40.64 98.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.72 -39.63 93.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.4 HD21 HG23 ' B' ' 51' ' ' ILE . 99.6 m-20 -61.21 -39.55 90.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 177.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.62 -39.08 79.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.46 -40.55 89.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.95 -44.72 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.28 -41.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.27 -38.72 90.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.51 -40.43 96.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -61.8 -39.49 91.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.37 -41.1 96.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 175.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -37.21 85.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.3 mt -63.67 -41.73 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -55.81 -43.8 75.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.189 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.61 -46.84 87.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.232 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.36 81.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.41 -47.85 71.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.76 -33.62 74.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.02 -32.67 66.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.456 HD12 ' C ' ' A' ' 72' ' ' ILE . 2.8 pp -113.28 20.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -173.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.5 44.62 5.49 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 159.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.1 t -80.91 136.55 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.751 0.31 . . . . 0.0 111.2 166.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.58 124.49 16.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.6 -24.29 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.244 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.41 -32.48 39.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.281 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 97.1 mt -86.81 -47.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.9 mt -67.68 -39.54 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -170.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.38 -35.18 78.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.26 -172.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -68.09 -37.85 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.3 mtm -67.27 -37.43 83.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.91 -40.83 85.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.47 -44.86 95.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.21 -43.12 74.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.27 -37.52 85.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.29 -51.82 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -69.07 -38.43 79.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.01 -50.13 75.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.26 -44.69 72.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -54.62 -39.87 68.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.4 p -76.66 -10.55 59.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 -174.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.8 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.227 -179.088 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.822 0.344 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.74 -53.42 46.31 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.12 -37.48 85.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.188 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 36.5 tp -63.72 -50.23 69.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.97 -45.04 95.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -56.9 -50.05 73.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.3 m -61.22 -32.62 72.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.221 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.488 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.2 tm? -62.14 -45.92 91.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.82 -36.78 84.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.222 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -67.23 -37.39 83.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.302 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.01 -43.65 95.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -56.36 -45.42 80.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.244 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.87 -43.79 77.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.3 -44.37 99.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.294 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.07 -48.76 73.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.59 -40.52 87.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.226 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.36 -39.31 89.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 175.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.24 -49.98 75.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.01 -40.65 95.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.268 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.83 -38.88 92.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.257 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.97 83.7 8.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.227 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -55.61 135.64 70.31 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.751 1.634 . . . . 0.0 111.22 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -162.83 156.39 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.238 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.55 -38.44 77.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.237 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -51.88 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.231 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.85 -33.92 76.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -176.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.45 -49.27 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.8 t -64.34 -43.56 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.214 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.99 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.08 87.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.69 -46.61 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.63 -54.34 28.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.12 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.266 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.27 -46.23 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.2 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.93 -44.07 99.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.12 -41.35 96.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.06 -42.7 99.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.192 174.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -58.01 -37.25 73.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.04 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -73.82 -34.9 64.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.419 HG23 HD11 ' A' ' 48' ' ' ILE . 63.3 mt -60.48 -46.96 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.7 -46.37 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.19 -38.09 84.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -174.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.94 76.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.427 HD11 HG23 ' C' ' 44' ' ' ILE . 74.1 mt -65.21 -48.85 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 170.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -62.36 -51.22 68.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.44 75.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.4 HG23 HD21 ' A' ' 55' ' ' ASN . 68.1 mt -59.94 -44.72 95.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.52 -43.54 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.85 -40.69 98.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.62 -39.65 94.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.229 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.403 HD21 HG23 ' C' ' 51' ' ' ILE . 99.5 m-20 -61.18 -39.54 90.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.226 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.03 79.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.223 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.54 -40.38 89.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 176.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.01 -44.75 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.29 -41.2 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.29 -38.72 90.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.188 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.51 -40.46 96.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.35 -41.0 96.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.16 85.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.82 -41.64 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 176.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -55.88 -43.7 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.174 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.76 -46.81 88.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.31 81.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.37 -47.93 71.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.74 -33.59 74.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.59 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.251 -175.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . 0.453 ' C ' HD12 ' B' ' 72' ' ' ILE . 2.8 pp -113.38 20.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 -173.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.49 44.54 5.51 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 159.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.84 136.56 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 0.0 111.211 166.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.58 124.48 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.7 -24.15 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.55 -32.4 40.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 97.0 mt -86.88 -47.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.178 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.69 -39.58 84.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -170.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.41 -35.11 78.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.22 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -68.15 -37.84 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 50.4 mtm -67.24 -37.5 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -58.99 -40.75 85.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.52 -44.77 95.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.21 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.25 -43.11 74.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.24 -37.57 85.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -177.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.26 -51.86 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.186 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.0 -38.42 79.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 59.8 tp -59.08 -50.1 75.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.21 -44.78 71.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -54.59 -39.88 68.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -76.63 -10.66 59.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.211 -174.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.249 -179.137 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.806 0.336 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.66 -53.4 46.41 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.22 -37.45 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 111.191 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 36.6 tp -63.62 -50.28 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.212 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -61.91 -45.1 95.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.83 -50.03 73.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.226 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -61.27 -32.63 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.224 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.49 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.2 tm? -62.17 -45.85 91.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.262 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.89 -36.7 84.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.211 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -67.35 -37.37 83.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.05 -43.55 95.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -56.48 -45.37 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.264 174.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.88 -43.79 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.29 -44.44 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.257 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.99 -48.78 72.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.49 -40.64 87.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.31 -39.38 89.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.24 -49.97 75.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.11 -40.6 94.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.226 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.83 -38.85 92.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.279 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.99 83.7 8.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.217 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -55.61 135.58 70.02 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.758 1.638 . . . . 0.0 111.242 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.2 p -162.74 156.48 20.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.62 -38.39 77.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.307 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.11 -51.81 68.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.277 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.89 -33.9 76.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.39 -49.24 83.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.39 -43.59 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.97 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.02 88.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.65 -46.62 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.243 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.78 -54.16 31.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.48 -38.18 83.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.24 -46.17 94.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.02 -43.98 99.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.18 -41.33 96.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.08 -42.58 99.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.24 -37.14 74.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -177.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.22 82.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -73.7 -34.88 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.224 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.427 HG23 HD11 ' B' ' 48' ' ' ILE . 62.8 mt -60.54 -46.94 94.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.6 -46.4 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.19 -38.07 84.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -174.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.91 76.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . 0.425 HD11 HG23 ' A' ' 44' ' ' ILE . 74.1 mt -65.22 -48.93 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 170.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 -62.33 -51.19 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.51 -37.64 76.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 -175.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.403 HG23 HD21 ' B' ' 55' ' ' ASN . 68.3 mt -59.86 -44.72 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.54 -43.47 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.91 -40.64 98.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 176.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.71 -39.56 93.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.283 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -61.19 -39.55 90.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.249 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.06 79.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.273 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.61 -40.27 88.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.14 -44.65 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.34 -41.2 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.2 -38.71 90.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.61 -40.45 96.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -61.72 -39.57 91.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.242 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.3 -41.09 96.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.74 -37.15 85.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 79.1 mt -63.65 -41.76 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 32.9 mm -55.76 -43.81 75.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.246 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.66 -46.81 87.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.231 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.33 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.38 -47.93 71.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -61.68 -33.62 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.296 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.95 -32.74 66.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' ILE . . . . . 0.457 ' C ' HD12 ' C' ' 72' ' ' ILE . 2.8 pp -113.3 20.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -173.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.52 44.57 5.5 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 159.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 54.0 t -80.87 136.51 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.698 0.285 . . . . 0.0 111.258 166.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.55 124.46 16.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.181 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.61 -24.24 65.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.188 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.49 -32.49 40.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 97.0 mt -86.83 -47.51 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 84.6 mt -67.7 -39.57 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -170.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.39 -35.21 78.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.194 -172.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -68.06 -37.87 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 50.3 mtm -67.3 -37.43 83.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.98 -40.8 85.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.099 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.44 -44.88 95.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.157 176.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.21 -43.15 74.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.2 -37.58 85.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.18 -51.91 67.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.99 -38.37 79.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.11 -50.05 75.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.27 -44.73 72.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.216 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -54.65 -39.87 68.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -76.57 -10.6 59.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 96.6 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 -179.031 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.786 0.326 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.98 -62.08 6.48 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.83 -34.99 72.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.732 0.301 . . . . 0.0 111.175 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.05 -49.95 75.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.208 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.27 -44.29 95.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -55.93 -47.7 77.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 174.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t -57.2 -41.86 80.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.68 -32.76 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.1 -41.27 99.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.224 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -69.3 -36.7 77.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.211 174.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.2 -39.18 85.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 175.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.41 -48.02 77.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 173.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.89 -38.31 85.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.49 -44.96 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.207 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.2 tp -57.13 -45.43 83.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.51 -46.72 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.248 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -64.02 -39.56 94.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.24 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.3 tp -60.83 -47.59 85.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.84 -42.36 81.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.63 -42.49 74.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.215 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.08 79.91 30.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -54.16 136.09 66.7 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.746 1.631 . . . . 0.0 111.167 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -164.3 157.03 17.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.2 -36.41 73.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.82 -52.44 65.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -68.46 -34.18 75.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.27 -49.81 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.162 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.1 t -64.44 -44.25 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.77 -39.49 94.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.5 72.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.29 -45.01 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.37 -53.95 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.25 93.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.32 -42.99 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.1 t -59.29 -47.45 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.26 -39.26 93.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.234 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.38 -41.31 98.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.237 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -60.14 -40.25 89.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.91 95.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.84 -36.97 83.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.219 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.95 -52.22 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.247 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.6 -42.49 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 -174.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.54 -39.85 95.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.96 83.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 173.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -74.79 -41.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -174.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.31 -43.67 79.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.252 171.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.3 86.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.8 -44.24 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.16 -42.92 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.12 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.01 -38.33 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -61.79 -39.05 90.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.26 -39.16 89.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.34 -39.17 92.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 84.9 mt -62.42 -41.72 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.257 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.86 -50.34 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.64 -35.74 80.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.155 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.44 -50.2 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 171.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -57.77 -38.7 75.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.236 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.31 -53.46 57.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.88 82.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.68 -47.83 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.71 -42.18 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.9 -39.84 90.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.0 96.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.44 -37.47 80.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.249 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.43 -40.88 96.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 173.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.28 78.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -69.98 -25.93 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.236 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.44 53.79 1.05 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 167.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.95 167.35 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 111.17 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -52.4 127.83 23.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.82 -37.09 70.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -58.26 -52.0 67.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 -176.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.85 -40.88 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.4 tp -54.3 -47.62 72.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.59 -41.02 93.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.25 -44.59 96.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.0 mtm -61.99 -42.22 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.38 -39.3 92.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.2 -48.9 76.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.263 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -60.18 -35.99 76.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.58 -50.65 72.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.67 -44.22 86.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.95 -41.92 97.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.229 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.2 tp -65.79 -47.03 76.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -61.76 -42.89 99.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.61 -34.71 76.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.4 m -68.24 -16.07 63.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.253 -175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 -176.368 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 78.4 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.83 0.348 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.96 -62.15 6.4 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.7 -35.0 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.09 -49.98 75.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.23 -44.32 95.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -55.9 -47.74 76.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t -57.2 -41.82 80.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.71 -32.82 74.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.07 -41.23 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -69.36 -36.72 77.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 174.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.2 -39.12 85.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.48 -47.99 78.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 173.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.9 -38.29 85.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.5 -44.94 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.219 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.12 -45.46 83.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.61 -46.66 77.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.91 -39.63 94.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.275 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 tp -60.83 -47.54 85.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.249 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.93 -42.32 81.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.62 -42.49 74.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -138.07 79.89 30.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -54.18 136.09 66.84 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.668 1.579 . . . . 0.0 111.205 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 92.7 p -164.25 157.06 17.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.24 -36.37 73.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.9 -52.43 65.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -68.36 -34.24 75.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.25 -49.77 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.224 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.53 -44.2 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.77 -39.49 94.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.46 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 88.3 mt -62.29 -45.0 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.4 -53.97 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.247 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.33 93.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.28 -43.03 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.25 -47.46 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.34 -39.23 93.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.32 -41.34 98.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.266 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.12 -40.28 89.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.95 95.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.195 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.82 -36.94 83.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.07 -52.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 48.1 t -61.57 -42.53 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.56 -39.9 95.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.179 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.99 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 173.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -74.75 -41.28 47.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 -174.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.33 -43.72 79.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.203 171.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.36 85.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.203 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.7 -44.31 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.13 -42.92 95.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.229 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.15 -39.36 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.215 175.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.05 -38.34 90.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -61.78 -39.05 90.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.13 89.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.286 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.35 -39.16 91.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.5 -41.73 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.86 -50.35 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -66.57 -35.81 81.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.198 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.36 -50.2 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 171.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -57.74 -38.78 75.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.16 -53.48 56.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.81 82.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 71.9 mt -61.76 -47.83 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.68 -42.18 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.92 -39.82 90.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.98 96.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.255 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.42 -37.54 80.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.203 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -61.39 -40.86 95.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.25 78.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -70.01 -25.93 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.48 53.73 1.05 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 167.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 31.5 m -75.92 167.35 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 111.196 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . 0.402 ' OD2' ' NZ ' ' B' ' 77' ' ' LYS . 20.1 t0 -52.42 127.89 23.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.244 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.87 -37.06 70.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.217 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.402 ' NZ ' ' OD2' ' B' ' 75' ' ' ASP . 38.4 mtmm -58.21 -52.12 66.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -176.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.76 -40.92 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 64.5 tp -54.32 -47.59 72.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.61 -40.97 93.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.231 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.21 -44.62 96.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 177.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.06 -42.23 98.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.176 -178.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -62.28 -39.38 92.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.274 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.21 -48.87 76.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.231 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.17 -36.05 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.56 -50.64 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.67 -44.28 86.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.91 -41.9 97.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.82 -47.02 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.221 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -61.79 -42.87 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.6 -34.74 76.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 70.1 m -68.21 -16.09 63.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -175.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -176.357 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.89 0.376 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.96 -62.13 6.42 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.73 -35.04 72.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 111.186 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.07 -49.96 75.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -60.24 -44.34 95.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -55.88 -47.73 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 46.7 t -57.12 -41.88 79.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 46.8 mt -64.72 -32.77 74.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.01 -41.38 99.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -69.24 -36.7 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.232 174.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.16 -39.22 85.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 175.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.41 -48.02 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.87 -38.3 85.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.48 -45.01 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.185 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.09 -45.49 83.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.54 -46.74 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.231 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -63.92 -39.64 94.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.255 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 tp -60.77 -47.54 85.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.267 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.91 -42.32 81.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -176.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.61 -42.54 74.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.196 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.1 79.89 30.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -54.17 136.15 66.97 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.69 1.593 . . . . 0.0 111.203 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -164.32 157.03 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.27 -36.37 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -60.86 -52.41 65.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -68.38 -34.24 75.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.25 -49.8 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.47 -44.25 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.76 -39.48 94.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.5 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.25 -45.05 99.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.221 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.45 -53.92 20.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.35 93.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.27 -42.98 97.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.27 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 68.3 t -59.29 -47.46 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.31 -39.22 93.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.39 -41.27 98.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.232 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.11 -40.26 89.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.95 95.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.222 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.79 -36.98 83.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.204 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.01 -52.21 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.241 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.47 -42.57 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 -174.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.54 -39.84 95.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.94 83.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 173.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 78.3 mt -74.8 -41.31 47.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -174.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.32 -43.67 79.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.27 -42.23 86.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.76 -44.32 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.08 -42.99 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.14 -39.35 94.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.199 175.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.13 -38.23 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -61.81 -39.07 90.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.232 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.18 89.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.253 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.27 -39.15 92.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.42 -41.81 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.232 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.75 -50.43 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.59 -35.76 80.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.169 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.4 -50.14 74.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.169 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -57.79 -38.74 76.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.21 -53.48 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.8 82.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 71.9 mt -61.73 -47.83 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.66 -42.2 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.92 -39.81 90.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.02 96.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.198 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.44 -37.49 80.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.183 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.47 -40.8 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 173.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.27 78.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -70.0 -25.88 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.4 53.75 1.05 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 167.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 31.2 m -75.92 167.33 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.212 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -52.39 127.87 23.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.87 -37.04 70.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -58.32 -51.98 67.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -176.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.84 -40.89 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.199 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 64.5 tp -54.38 -47.56 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.66 -40.96 94.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.21 -44.59 97.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.05 -42.2 98.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.31 -39.33 92.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.304 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.19 -48.93 76.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.251 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.14 -36.03 76.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.52 -50.67 72.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.68 -44.21 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.98 -41.88 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.251 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.79 -47.1 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.188 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -61.75 -42.86 99.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.58 -34.79 76.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 70.6 m -68.2 -16.05 63.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.254 -175.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 93.4 mt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 -176.307 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.722 0.296 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.89 -33.75 84.67 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.83 -35.31 38.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 111.203 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.05 -40.68 96.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -64.94 -43.69 91.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -58.35 -47.72 82.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 174.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m -58.45 -40.88 83.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.243 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.87 -36.37 83.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -67.94 -42.6 80.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -70.11 -39.27 75.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.237 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.05 -44.74 96.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -57.95 -47.55 82.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 174.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.81 -45.53 70.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.22 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.39 -44.22 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.13 -48.03 74.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.169 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.08 -44.03 91.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.43 -38.51 91.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.195 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.93 -49.91 74.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.264 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.07 -41.22 95.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.32 -39.11 92.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.34 84.68 7.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.258 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -55.23 135.61 69.71 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.657 1.571 . . . . 0.0 111.228 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.9 p -162.96 156.9 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.26 -38.7 77.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.28 -51.62 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.66 -33.32 74.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.5 -49.14 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 177.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.61 -43.52 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.06 -39.71 95.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.257 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.63 -47.3 86.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 175.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.67 -47.07 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.3 -51.75 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.229 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.65 80.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.256 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.24 -45.58 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.95 -45.85 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.74 -42.01 97.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -59.67 -48.01 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.83 -41.05 85.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.05 93.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.3 -39.5 94.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.24 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.2 -47.44 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -70.59 -42.48 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -175.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.92 -36.59 83.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.35 -49.33 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.7 -22.98 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -173.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -46.34 -48.54 18.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.236 168.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.59 95.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.12 -47.01 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.265 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.55 -45.5 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.243 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.18 -39.94 96.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.223 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.5 -41.11 98.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -59.34 -41.74 89.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.41 90.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.03 -36.73 80.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.5 -42.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.24 -45.0 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.58 -38.86 92.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -58.93 -49.86 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.05 -37.73 77.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.22 -49.16 78.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.194 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.0 74.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.175 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.3 mt -65.51 -51.74 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.19 -25.19 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -173.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.41 -41.56 84.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 169.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.31 79.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.207 175.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.49 -43.74 96.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.246 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -58.57 -38.98 79.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.95 -27.4 65.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 pt -111.61 24.15 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -173.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 16.13 58.45 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 158.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.68 137.32 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.232 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -47.88 119.17 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -173.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -62.25 -32.8 73.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.195 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.21 -52.78 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.64 -42.06 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.209 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.45 -39.29 91.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.162 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -63.39 -36.99 85.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.26 -40.24 93.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 176.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 70.1 mtm -70.31 -36.72 74.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -56.48 -46.88 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.2 -49.99 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.21 176.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.34 -47.12 66.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.75 -40.87 92.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.221 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.45 -40.44 97.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.231 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.81 -40.49 97.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.298 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.94 -39.94 90.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.47 -40.76 79.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.8 -34.71 60.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.7 t -55.48 -42.13 73.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.275 -175.214 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.765 0.317 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.8 -33.81 84.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.71 -35.42 39.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 111.238 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.01 -40.69 96.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.263 175.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -64.97 -43.71 91.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.222 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -58.23 -47.81 82.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.249 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 57.7 m -58.41 -40.98 83.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.3 mt -63.85 -36.28 83.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.96 -42.68 80.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -70.05 -39.29 75.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.274 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.03 -44.64 96.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.02 -47.47 82.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -53.95 -45.48 71.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.29 -44.28 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.175 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 62.8 tp -55.15 -47.98 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.185 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.14 -43.99 92.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.207 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.45 -38.51 91.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 176.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.87 -50.0 73.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.07 -41.18 95.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.3 -39.14 92.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.35 84.68 7.73 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.232 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -55.19 135.53 69.3 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.741 1.628 . . . . 0.0 111.195 -178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.8 p -162.97 156.83 20.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.18 -38.72 77.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.221 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.2 -51.65 69.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.69 -33.3 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.222 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.48 -49.1 84.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.166 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 72.9 t -64.65 -43.5 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.254 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.12 -39.58 95.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.7 -47.27 86.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.249 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.68 -47.05 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.249 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.29 -51.83 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.71 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.26 -45.57 93.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.82 -45.91 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.8 -41.98 97.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.58 -48.06 83.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.78 -41.1 85.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.07 92.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.241 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.25 -39.58 94.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.255 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.2 -47.32 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.269 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 76.4 t -70.71 -42.45 77.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 -175.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.95 -36.6 83.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.26 -49.35 19.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.71 -22.94 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 -173.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -46.31 -48.58 18.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 168.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.6 95.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.14 -46.93 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.236 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.58 -45.56 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.13 -39.96 96.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -63.5 -41.14 98.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.207 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -59.32 -41.8 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.36 90.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.05 -36.81 80.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.48 -42.49 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.32 -44.92 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.68 -38.84 92.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.89 -49.84 76.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.197 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.11 -37.69 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.24 -49.18 78.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.09 -36.02 74.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.265 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 88.5 mt -65.45 -51.8 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.303 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 39.9 pt -72.11 -25.22 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.2 -173.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.43 -41.49 84.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 169.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.13 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.239 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.55 -43.69 96.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.24 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -58.53 -39.08 79.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.38 65.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 pt -111.63 24.14 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 16.16 58.41 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 158.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.75 137.29 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.172 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -47.82 119.16 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -173.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.38 -32.71 73.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -173.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.24 -52.81 63.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -174.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.71 -41.98 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.46 -39.28 91.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -63.46 -37.05 85.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.16 -40.28 93.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.236 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.1 mtm -70.23 -36.8 74.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.41 -46.9 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.17 -49.97 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.263 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.34 -47.14 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.75 -40.84 92.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.261 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.41 -40.57 97.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.73 -40.62 97.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.19 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 83.4 mt -65.87 -39.97 91.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.5 -40.68 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.91 -34.57 59.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.253 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 37.4 t -55.51 -42.18 74.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 -175.165 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.764 0.316 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.93 -33.69 84.59 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.86 -35.23 38.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 111.263 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.07 -40.72 96.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -64.83 -43.8 91.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -58.26 -47.78 82.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 174.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -58.41 -40.99 83.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.238 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.8 -36.34 83.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -67.91 -42.67 80.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.236 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -70.1 -39.29 75.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.01 -44.72 96.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.283 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -57.98 -47.43 83.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.186 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.89 -45.6 71.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.32 -44.2 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.15 -48.01 74.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.203 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.1 -43.97 91.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.44 -38.56 91.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.88 -49.96 74.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.02 -41.21 95.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -176.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.25 -39.2 92.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.34 84.7 7.73 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.255 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -55.21 135.59 69.61 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.677 1.585 . . . . 0.0 111.247 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.1 p -162.97 156.85 20.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.22 -38.66 77.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.202 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.23 -51.74 68.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.63 -33.29 74.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.44 -49.11 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.72 -43.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.191 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.17 -39.61 95.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -47.18 86.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.77 -47.02 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.3 -51.76 61.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.71 80.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.18 -45.61 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -58.92 -45.86 91.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.75 -42.11 97.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -59.41 -48.15 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -58.79 -41.04 85.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.03 93.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.27 -39.5 94.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.252 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.27 -47.4 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -70.62 -42.44 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -175.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.98 -36.56 83.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.32 -49.35 19.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.68 -23.09 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 -173.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -46.2 -48.64 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.221 168.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.65 95.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.18 -46.97 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.53 -45.54 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.11 -40.0 96.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.57 -41.13 98.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -59.28 -41.75 89.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.43 90.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -67.99 -36.78 80.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 83.8 mt -62.44 -42.5 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.3 -44.97 96.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.58 -38.86 92.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.91 -49.82 76.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.09 -37.7 77.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.32 -49.17 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.88 74.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.59 -51.74 59.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.231 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.16 -25.21 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.36 -41.59 84.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 169.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.22 78.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.244 175.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.6 -43.71 96.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -58.45 -39.11 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.213 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.95 -27.26 65.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 43.7 pt -111.69 24.19 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 -173.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.92 16.02 58.59 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 159.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.62 137.26 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -47.8 119.14 2.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 -173.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.3 -32.83 73.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.15 -52.8 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 -174.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.81 -41.96 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.44 -39.28 91.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -63.5 -36.97 85.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.24 -40.21 93.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.199 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 70.2 mtm -70.26 -36.79 74.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.241 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.35 -46.97 79.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.18 -49.96 73.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.236 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.36 -47.18 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.68 -40.86 92.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.243 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.43 -40.59 97.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.79 -40.48 97.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.248 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 83.3 mt -65.93 -39.95 90.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.47 -40.78 79.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.7 -34.77 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 38.1 t -55.46 -42.14 73.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.235 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 91.4 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.272 -175.205 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.793 0.33 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.32 -28.66 69.69 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -74.05 -40.03 63.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 111.215 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.99 -42.28 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 175.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' A' ' 12' ' ' GLU . 64.8 tttm -59.52 -49.57 77.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.22 -48.24 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.282 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -59.14 -42.38 90.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.69 -40.43 94.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 98.4 mt-10 -62.79 -41.49 99.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.199 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.21 -37.68 75.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.48 -47.12 87.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.21 -37.02 82.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.248 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.24 -49.93 74.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.19 -41.96 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 tp -53.94 -51.14 64.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.51 -40.09 81.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.77 -41.03 97.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 176.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.3 -42.8 92.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.82 -35.53 76.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -80.17 -48.95 12.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.27 83.54 17.52 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.256 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -56.53 143.21 88.89 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.703 1.602 . . . . 0.0 111.185 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.4 p -160.47 150.0 17.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.279 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.72 -39.28 80.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -58.31 -52.97 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.242 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.9 -29.97 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.282 -174.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.03 -46.49 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.17 -40.86 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.227 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.26 -39.94 92.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.18 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.5 -44.14 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -49.95 -52.48 33.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.39 96.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.155 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.57 -46.7 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.183 -177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.16 -46.93 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -69.93 -34.92 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.13 -47.39 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.04 -41.58 88.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.82 94.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.75 -42.44 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.07 -54.42 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.3 t -59.92 -46.9 93.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -172.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -66.35 -34.83 78.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.29 -55.03 13.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 pt -67.42 -24.96 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -171.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -57.54 -38.01 74.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.67 71.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.193 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.95 -43.8 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.176 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.21 -46.23 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.58 -42.26 98.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -71.39 -31.13 66.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.481 HD22 ' HA ' ' A' ' 55' ' ' ASN . 7.6 m120 -59.72 -52.17 66.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 174.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.84 -37.2 73.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.16 -52.55 26.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.25 -31.35 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.206 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.03 -48.05 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.255 175.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -60.02 -35.44 75.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.229 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -57.34 -29.32 63.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.222 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.82 -26.81 68.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.55 -47.73 83.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.11 88.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.16 -46.53 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.8 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.218 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.84 -40.23 94.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.96 97.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.276 175.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.3 mt -67.3 -36.33 81.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.266 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.84 -40.78 95.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.11 -46.99 84.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.241 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.5 tp -70.8 -25.98 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.271 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.04 55.59 1.12 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 166.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.2 m -80.19 169.12 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.191 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -54.77 125.55 20.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -176.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.81 -32.25 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.243 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.11 -23.26 65.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -175.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.6 mm -90.22 -39.14 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.25 -41.02 87.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.252 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.2 -40.58 90.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -71.08 -43.2 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.191 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.2 -38.7 92.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.174 -177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.96 -39.07 93.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.39 -41.22 93.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.55 -38.9 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.41 -51.46 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.15 -39.15 93.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.25 -40.62 74.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.4 mt -59.68 -43.62 93.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.68 -41.24 96.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.49 -43.99 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.0 t -72.07 -55.35 7.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 -169.326 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.2 mt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.849 0.357 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.37 -28.58 69.62 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -74.1 -40.09 62.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.99 -42.23 97.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.411 ' NZ ' ' OE2' ' B' ' 12' ' ' GLU . 64.8 tttm -59.54 -49.63 77.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -54.1 -48.28 70.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.303 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -59.27 -42.32 90.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.74 -40.33 94.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.276 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.411 ' OE2' ' NZ ' ' B' ' 8' ' ' LYS . 98.4 mt-10 -62.88 -41.44 99.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.26 -37.61 74.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.172 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.46 -47.14 87.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.2 -37.09 83.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.18 -49.95 74.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.22 -41.97 92.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 tp -53.94 -51.13 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.46 -40.15 81.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.83 -41.05 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.29 -42.79 92.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.8 -35.58 76.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -80.2 -48.89 12.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.244 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.26 83.5 17.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -56.48 143.26 88.2 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.64 1.56 . . . . 0.0 111.208 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -160.53 150.03 17.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.301 175.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.8 -39.17 80.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.46 -52.88 63.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -71.91 -29.92 64.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.254 -174.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.11 -46.46 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.7 t -64.29 -40.77 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.28 -39.91 92.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.21 82.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 90.9 mt -60.44 -44.12 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -49.95 -52.49 33.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.229 175.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.36 97.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 80.8 mt -64.56 -46.66 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.16 -46.81 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -70.05 -34.95 73.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.02 -47.47 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.08 -41.53 88.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.85 94.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.76 -42.4 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.4 ' O ' HG12 ' B' ' 48' ' ' ILE . 93.3 mt -62.05 -54.57 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.186 178.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.86 -46.93 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 -172.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -66.27 -34.94 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.11 -55.17 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.4 HG12 ' O ' ' B' ' 44' ' ' ILE . 37.6 pt -67.35 -24.98 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -171.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -57.5 -38.02 73.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.63 71.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.283 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.98 -43.77 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.4 t -58.13 -46.33 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.62 -42.2 98.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.39 -31.19 67.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . 0.442 ' HA ' HD22 ' B' ' 55' ' ' ASN . 7.6 m120 -59.61 -52.22 66.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 174.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.24 73.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.198 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.08 -52.58 27.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.2 -31.37 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.17 -47.94 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.256 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -60.0 -35.48 75.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.21 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.31 -29.33 63.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.9 -26.77 68.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.57 -47.69 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.222 175.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.09 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.24 -46.5 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.84 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.93 -40.19 94.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.93 97.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.267 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.38 -36.27 81.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.95 -40.79 95.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.0 -47.1 84.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.25 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 7.6 tp -70.8 -25.95 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.01 55.6 1.12 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 166.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 m -80.23 169.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 111.133 173.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -54.76 125.56 20.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.88 -32.22 67.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.19 -23.13 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 -175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 45.3 mm -90.21 -39.21 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.12 -41.14 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.28 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.12 -40.61 90.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.244 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -71.11 -43.23 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.222 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.15 -38.69 92.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.92 -39.14 93.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.43 -41.12 93.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.6 -38.8 90.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 58.6 tp -58.46 -51.44 69.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.11 -39.21 94.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.201 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.15 -40.7 74.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 41.4 mt -59.69 -43.54 94.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.78 -41.15 96.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.255 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.52 -44.0 72.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.248 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 42.9 t -72.07 -55.35 7.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 84.2 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -169.388 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.876 0.369 . . . . 0.0 111.174 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.36 -28.61 69.66 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -74.08 -39.98 63.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 111.243 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.05 -42.25 97.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.248 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . 0.427 ' NZ ' ' OE2' ' C' ' 12' ' ' GLU . 64.7 tttm -59.51 -49.56 77.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.195 177.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.3 -48.19 71.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -59.26 -42.27 90.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.7 -40.36 94.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.304 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' GLU . . . . . 0.427 ' OE2' ' NZ ' ' C' ' 8' ' ' LYS . 98.4 mt-10 -62.93 -41.44 99.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.24 -37.65 75.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.41 -47.15 87.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -67.17 -37.09 83.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.2 -49.99 74.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.21 -41.9 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 40.9 tp -53.93 -51.14 64.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.54 -40.05 81.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.73 -41.06 97.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 176.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.5 mt -65.34 -42.76 92.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.92 -35.51 76.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -80.13 -48.87 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.318 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.3 83.53 17.47 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.232 -174.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -56.53 143.29 88.58 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.623 1.549 . . . . 0.0 111.273 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 87.5 p -160.51 150.05 17.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.268 175.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.79 -39.18 80.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.243 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -58.44 -52.88 63.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.94 -29.92 64.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.274 -174.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.09 -46.52 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 65.5 t -64.22 -40.78 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.21 -39.95 92.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.07 83.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.51 -44.14 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -49.97 -52.53 32.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.41 96.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 80.1 mt -64.6 -46.7 91.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.16 -46.85 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -177.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -70.03 -34.91 73.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.07 -47.4 85.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 173.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.1 -41.46 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.82 94.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.8 -42.39 99.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.403 ' O ' HG12 ' C' ' 48' ' ' ILE . 93.2 mt -62.06 -54.59 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.88 -46.86 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -172.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.31 -34.86 78.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.26 -55.1 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 177.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . 0.403 HG12 ' O ' ' C' ' 44' ' ' ILE . 37.6 pt -67.34 -25.02 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 -171.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -57.56 -37.93 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.63 71.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.236 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.94 -43.79 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.2 -46.29 88.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.54 -42.23 98.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.205 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.41 -31.17 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . 0.472 HD22 ' HA ' ' C' ' 55' ' ' ASN . 7.6 m120 -59.63 -52.22 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.226 174.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.16 73.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.13 -52.59 26.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.224 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.24 -31.35 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -66.2 -47.95 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -59.93 -35.56 75.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -57.24 -29.41 63.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.223 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.82 -26.74 68.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.6 -47.82 83.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.05 87.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.281 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.25 -46.54 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.76 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.84 -40.16 94.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.92 97.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 175.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.33 -36.3 81.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.89 -40.82 95.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 175.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.1 84.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.234 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 7.5 tp -70.66 -26.06 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.262 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.11 55.62 1.11 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 166.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 21.1 m -80.22 169.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 111.142 173.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -54.74 125.6 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 -176.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.93 -32.18 67.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.205 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.1 -23.28 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 45.4 mm -90.18 -39.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.206 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 84.2 mt -59.26 -41.01 87.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.25 -40.51 90.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -71.17 -43.12 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -176.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.28 -38.63 91.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.95 -39.15 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.188 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.41 -41.13 93.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.63 -38.85 90.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.42 -51.51 69.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.14 -39.17 93.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.31 -40.51 74.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.79 -43.52 94.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 175.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.74 -41.21 96.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.231 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.48 -44.06 72.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.229 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 42.7 t -71.98 -55.42 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.237 -169.4 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp . . . . . 0 CA--C 1.524 -0.053 0 CA-C-O 120.798 0.332 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.74 -32.08 80.38 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.51 -30.62 26.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 0.0 111.126 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.2 -46.37 89.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 172.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -54.05 -51.78 62.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.269 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -54.67 -46.97 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -56.62 -40.69 75.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 mt -69.44 -33.52 73.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.261 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.19 -40.19 95.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.274 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.04 -37.57 75.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.22 -38.0 82.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -60.09 -44.34 94.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.51 -38.39 84.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.91 -46.29 92.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 174.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.19 -47.28 81.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.16 -41.65 88.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.28 -40.66 96.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 174.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.15 -48.09 83.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.12 -43.1 88.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.247 -176.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.52 -39.29 88.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.67 85.6 7.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.2 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.29 136.54 73.97 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.795 1.663 . . . . 0.0 111.147 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.4 p -161.99 156.18 21.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.26 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.56 -38.8 78.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.75 -51.1 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.11 -32.72 72.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -175.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.15 -49.06 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.37 -43.46 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.13 -39.13 93.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -49.76 74.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.186 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.03 -45.92 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.189 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.03 -53.7 31.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.268 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.51 90.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.5 -44.53 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.0 t -59.46 -46.19 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.243 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.35 -38.96 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.57 -38.1 88.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.15 -38.89 84.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.294 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.77 95.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.4 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.78 -45.26 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.255 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.59 -42.65 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.92 -39.02 93.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.96 -41.37 99.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.262 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.89 -46.99 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.29 -43.01 64.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.48 80.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.501 HG21 HG21 ' B' ' 51' ' ' ILE . 29.5 mt -67.17 -44.44 87.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.22 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.39 -45.56 85.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.199 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -68.97 -43.55 74.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -54.78 -42.93 72.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -58.96 -44.65 91.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.211 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.8 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.02 -37.41 81.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.76 -42.41 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.8 t -57.55 -45.3 86.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -65.98 -36.42 83.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.89 -43.5 98.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -60.22 -39.93 88.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -58.36 -48.54 80.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.98 82.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.204 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.01 -46.65 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.29 -42.6 94.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.236 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.47 -39.75 92.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.08 98.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 174.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.93 -37.53 87.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.228 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.21 -42.22 96.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.43 -37.15 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.47 -44.58 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.259 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.94 40.13 0.92 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.3 t -63.58 142.85 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 171.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -37.86 131.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.211 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -56.55 -44.77 81.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.428 ' NZ ' ' OE2' ' A' ' 81' ' ' GLU . 66.0 tttm -58.72 -47.1 85.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 87.1 mt -59.02 -44.18 90.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.254 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.0 -44.02 97.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.242 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.41 -41.52 98.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.428 ' OE2' ' NZ ' ' A' ' 77' ' ' LYS . 97.1 mt-10 -61.37 -42.03 98.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.216 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.37 -40.3 89.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.24 -44.74 82.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.71 -43.05 94.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.93 -41.0 91.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.8 tp -68.49 -44.42 74.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.91 -39.77 93.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.56 -39.29 84.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.17 -44.49 97.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.09 -47.35 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.23 -36.9 81.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.305 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.9 p -72.1 -11.82 60.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.209 -177.625 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 28.7 tp . . . . . 0 CA--C 1.523 -0.082 0 CA-C-O 120.853 0.359 . . . . 0.0 111.235 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.82 -32.05 80.44 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.39 -30.71 27.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.159 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.13 -46.31 89.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.296 172.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -54.18 -51.63 63.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.252 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -54.86 -46.85 74.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.212 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.4 m -56.64 -40.69 75.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.7 mt -69.47 -33.49 72.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.25 -40.19 95.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.2 -37.98 81.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -59.98 -44.54 94.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 175.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.42 -38.37 83.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.25 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.0 -46.22 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.222 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.26 -47.24 81.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -59.1 -41.72 88.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.3 -40.59 96.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 174.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.24 -48.06 83.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.203 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.14 -43.11 88.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.5 -39.35 88.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 -178.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.65 85.64 7.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -55.24 136.46 73.51 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.803 1.668 . . . . 0.0 111.106 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.6 p -161.93 156.13 22.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.245 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.45 -38.75 78.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.83 -51.08 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.227 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -69.2 -32.61 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -175.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.0 mt -63.17 -49.06 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.31 -43.49 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.22 -39.09 93.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.74 74.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.266 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.03 -45.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.293 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.16 -53.71 32.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.63 90.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.56 -44.38 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.295 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.52 -46.22 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.194 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.34 -38.96 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.52 -38.25 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.02 -39.02 84.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.283 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.78 95.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.42 -38.36 90.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.87 -45.14 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.241 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.0 t -59.59 -42.66 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.97 -39.03 93.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.31 99.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.251 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.99 -46.91 90.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.37 -43.04 64.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.51 80.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.501 HG21 HG21 ' A' ' 51' ' ' ILE . 29.5 mt -67.21 -44.41 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 178.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.38 -45.65 85.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.227 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -68.82 -43.59 75.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -54.88 -42.79 72.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -58.97 -44.81 91.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.91 88.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.24 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.0 -37.36 81.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.87 -42.34 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.53 -45.33 86.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.98 -36.39 83.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.261 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.88 -43.39 98.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.236 174.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.24 -39.92 88.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -58.46 -48.51 80.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.99 82.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.98 -46.74 93.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.27 -42.49 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.323 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.55 -39.8 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.06 98.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 173.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.01 -37.48 87.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.194 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.22 -42.29 96.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 175.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.35 -37.21 77.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 90.2 mt -66.47 -44.6 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.92 40.11 0.92 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t -63.55 142.88 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 111.17 171.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -37.9 131.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.43 -44.88 80.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 -175.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' B' ' 81' ' ' GLU . 66.0 tttm -58.64 -47.16 85.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -175.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.0 -44.24 90.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.02 -43.93 97.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.287 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.33 -41.64 98.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.223 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' B' ' 77' ' ' LYS . 97.2 mt-10 -61.35 -42.03 98.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.286 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.29 -40.29 89.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.194 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.22 -44.74 82.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.242 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.79 -42.93 94.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.201 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -66.01 -40.89 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.205 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 45.9 tp -68.58 -44.43 74.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.83 -39.85 93.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.248 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.58 -39.2 84.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.21 -44.54 97.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -55.1 -47.29 75.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.3 -36.91 81.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 57.1 p -72.18 -11.72 60.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -172.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 82.1 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -177.619 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp . . . . . 0 CA--C 1.523 -0.091 0 CA-C-O 120.884 0.374 . . . . 0.0 111.279 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.88 -31.97 80.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.5 -30.58 27.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 0.0 111.161 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 tp -62.28 -46.29 89.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.232 172.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -54.19 -51.65 63.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.227 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -54.71 -46.94 74.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.5 m -56.64 -40.64 75.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.22 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -69.58 -33.42 72.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.2 -40.26 95.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.03 -37.51 75.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.2 -38.0 81.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.261 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -60.03 -44.46 94.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.46 -38.44 84.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.93 -46.18 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.24 -47.3 81.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.08 -41.64 88.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.34 -40.57 96.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.25 -48.05 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.1 -43.18 88.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.53 -39.24 88.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.66 85.66 7.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.258 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.34 136.49 73.83 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.747 1.632 . . . . 0.0 111.21 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 95.3 p -161.93 156.14 22.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.273 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.46 -38.8 78.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.259 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.68 -51.2 70.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.259 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.08 -32.7 72.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.207 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 82.5 mt -63.1 -49.09 84.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.3 -43.51 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.189 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.12 -39.14 93.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.7 74.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.294 175.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.05 -45.87 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.15 -53.6 33.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.228 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.58 91.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.53 -44.45 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 75.3 t -59.59 -46.09 93.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.281 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.33 -39.02 93.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.53 -38.15 88.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -60.08 -38.95 84.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.85 95.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.35 -38.44 91.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.83 -45.19 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.227 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 44.2 t -59.56 -42.62 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.95 -39.0 93.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.213 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.41 99.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.228 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.88 -46.99 90.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.35 -42.98 64.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.53 -44.38 80.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.498 HG21 HG21 ' B' ' 51' ' ' ILE . 29.3 mt -67.21 -44.48 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 51.3 t -57.36 -45.61 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.212 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -68.81 -43.61 75.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.82 -42.89 72.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -58.96 -44.78 91.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.9 88.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -67.96 -37.41 81.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.268 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -61.88 -42.32 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.229 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 42.8 t -57.49 -45.37 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.96 -36.45 83.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -62.93 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.218 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.3 -39.9 88.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -58.42 -48.53 80.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.53 -39.03 82.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.95 -46.64 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.22 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.32 -42.57 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.237 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.59 -39.64 91.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.01 98.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.96 -37.51 87.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.269 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.15 -42.23 96.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.242 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.41 -37.07 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.235 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.55 -44.63 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.92 40.19 0.92 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 52.2 t -63.68 142.91 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.376 . . . . 0.0 111.073 171.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -37.89 131.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -56.48 -44.84 81.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' C' ' 81' ' ' GLU . 66.0 tttm -58.67 -47.07 85.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.249 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.02 -44.26 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.97 -43.94 97.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.297 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.37 -41.61 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' C' ' 77' ' ' LYS . 97.1 mt-10 -61.43 -41.95 97.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.183 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.46 -40.25 89.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.23 -44.74 82.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.79 -42.94 94.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.94 -41.0 91.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.56 -44.36 74.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.194 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.96 -39.79 93.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.52 -39.27 85.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.22 -44.48 97.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.246 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.14 -47.27 75.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.32 -36.91 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.264 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 56.9 p -72.13 -11.74 60.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 -173.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 81.9 mt . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -177.609 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.696 0.284 . . . . 0.0 111.225 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.88 -56.47 18.4 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.74 -37.22 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.76 0.314 . . . . 0.0 111.139 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.68 -49.36 77.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.261 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.84 -44.28 86.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -56.05 -49.59 73.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -60.41 -36.66 78.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.573 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.5 tm? -63.15 -46.88 85.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -36.98 85.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.69 -38.39 83.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.211 175.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.5 tp -60.22 -43.58 95.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 174.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.58 -46.34 80.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.204 174.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -55.15 -46.18 75.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.51 -43.11 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 tp -55.12 -49.54 71.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.98 -40.38 88.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.31 -39.86 93.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.42 -50.31 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.01 -40.33 96.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -175.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.46 -41.54 84.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.226 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.46 79.51 35.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.94 135.08 66.89 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.69 1.593 . . . . 0.0 111.159 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.9 p -165.58 156.97 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.66 -38.21 77.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.249 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.66 -51.55 69.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.5 -33.56 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.28 -49.49 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.94 -43.07 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.09 -38.61 91.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.95 88.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.211 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.35 -46.48 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.93 -53.52 48.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.84 83.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.96 -46.04 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.249 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.28 -43.81 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.96 -40.68 96.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -58.99 -50.4 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 174.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -58.99 -43.79 91.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.7 86.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.218 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.7 -37.43 82.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.51 -46.36 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.83 -41.66 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.286 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -62.06 -43.56 98.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.98 80.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.26 -40.79 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.63 -51.94 34.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.27 171.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.43 93.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.7 mt -64.43 -45.69 95.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.213 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.93 -44.08 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.84 -40.74 96.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 176.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.56 -43.57 98.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 176.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -59.65 -43.35 93.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.88 95.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -65.03 -40.0 94.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.27 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.91 -41.69 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.184 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.0 t -57.61 -47.67 84.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.77 -36.09 81.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.36 -48.44 79.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.53 -40.43 91.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.218 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.9 -51.78 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.04 80.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.89 -46.76 90.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.86 -44.54 99.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.268 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.78 -37.03 85.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 176.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.92 95.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.33 -39.13 93.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.28 -42.38 98.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.33 82.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.89 -42.2 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.75 33.02 1.34 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.88 143.99 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.274 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' A' ' 77' ' ' LYS . 19.0 t0 -43.11 129.86 4.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.235 176.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.49 -28.58 70.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 -173.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.404 ' NZ ' ' OD2' ' A' ' 75' ' ' ASP . 38.4 mtmm -61.92 -56.98 13.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.262 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.74 -30.84 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.6 -48.48 80.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -57.03 -47.93 79.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 176.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -56.24 -48.9 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.4 mtm -62.13 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 -175.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.04 -42.37 97.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.171 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.12 -41.52 81.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.266 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.88 -39.01 87.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.185 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.78 -47.22 78.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.13 -35.32 75.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.58 -38.51 87.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.194 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.12 -49.16 78.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 171.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -56.0 -48.88 75.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.226 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.78 -43.88 94.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -60.18 -39.67 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.272 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.5 tp . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 177.71 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.8 tp . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.812 0.339 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.85 -56.54 17.96 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.62 -37.27 84.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.67 -49.45 77.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.82 -44.28 86.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -55.97 -49.59 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.5 m -60.38 -36.67 78.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.571 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.5 tm? -63.22 -46.83 85.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -37.04 85.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.55 -38.42 84.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.182 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 40.1 tp -60.33 -43.56 96.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 174.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.56 -46.35 80.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -55.1 -46.18 75.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.61 -43.07 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 tp -55.2 -49.49 71.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.213 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.02 -40.34 88.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.35 -39.85 92.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.37 -50.2 74.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.19 -40.23 95.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -175.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.53 -41.46 84.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.249 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -137.53 79.52 35.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -54.92 135.1 66.92 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.676 1.584 . . . . 0.0 111.124 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.9 p -165.62 157.01 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.69 -38.24 77.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.242 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.66 -51.51 69.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -65.46 -33.57 76.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.5 mt -63.32 -49.49 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.4 t -64.96 -43.1 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.14 -38.46 91.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.99 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.226 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.38 -46.4 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.99 -53.57 48.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.77 82.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -63.98 -46.15 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.07 -43.83 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.277 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.04 -40.69 96.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.89 -50.44 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -58.96 -43.84 91.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.58 86.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -67.8 -37.45 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.44 -46.5 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.79 -41.63 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.247 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -62.05 -43.56 98.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.94 -36.92 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.221 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.29 -40.8 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.228 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.65 -51.91 34.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.276 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.5 93.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.28 -45.76 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.9 -44.14 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.84 -40.75 96.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.19 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.45 -43.55 98.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.229 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -59.8 -43.33 94.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.176 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.74 95.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -65.15 -39.93 93.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.94 -41.66 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 45.8 t -57.59 -47.7 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.75 -36.14 81.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.27 -48.46 79.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.195 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.56 -40.39 91.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.172 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.99 -51.75 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 176.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.09 79.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.255 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.85 -46.77 90.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.96 -44.46 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.213 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.85 -37.07 85.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.8 95.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.247 175.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.33 -39.22 93.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.28 -42.37 98.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.213 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.27 82.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.06 -42.07 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.237 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.69 33.06 1.34 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.9 144.0 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.262 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . 0.409 ' OD2' ' NZ ' ' B' ' 77' ' ' LYS . 19.0 t0 -43.08 129.91 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 176.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.53 -28.66 70.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -173.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.409 ' NZ ' ' OD2' ' B' ' 75' ' ' ASP . 38.4 mtmm -61.89 -57.0 13.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.283 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.59 -30.94 51.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -58.62 -48.43 81.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -57.01 -47.94 79.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -56.25 -48.85 75.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.267 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.4 mtm -62.14 -43.41 98.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.01 -42.39 97.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -177.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.15 -41.52 81.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.82 -39.09 87.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.73 -47.18 79.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.19 -35.24 74.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.59 -38.59 87.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.01 -49.16 78.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.06 -48.89 75.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.191 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.77 -43.88 94.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 74.2 m -60.22 -39.64 87.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 60.4 tp . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 177.768 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.827 0.346 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.88 -56.52 18.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.7 -37.13 84.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.74 -49.43 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.86 -44.23 86.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -56.13 -49.49 73.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -60.45 -36.71 78.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.565 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.5 tm? -63.07 -46.87 85.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.264 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.14 -36.98 85.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.61 -38.41 83.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.228 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 40.2 tp -60.26 -43.58 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 174.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.6 -46.32 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.181 174.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -55.17 -46.22 75.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.5 -43.12 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.2 -49.44 71.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.249 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.06 -40.37 89.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.3 -39.92 93.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.33 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 -175.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.54 -41.49 84.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.48 79.51 35.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -54.94 135.06 66.83 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.673 1.582 . . . . 0.0 111.176 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 94.4 p -165.54 157.08 14.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.8 -38.2 78.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.72 -51.49 69.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -65.49 -33.57 76.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.25 -49.51 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.93 -43.13 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.12 -38.51 91.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.2 -47.06 87.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.29 -46.46 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.96 -53.5 48.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.235 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.74 82.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.04 -46.1 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.14 -43.79 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.02 -40.72 96.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -58.98 -50.41 74.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 174.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -59.01 -43.74 91.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.6 86.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -67.79 -37.48 82.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.47 -46.36 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.216 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.91 -41.54 86.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.281 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -62.03 -43.6 98.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.193 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.87 80.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.27 -40.84 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.64 -51.96 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 172.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.46 93.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.189 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.35 -45.76 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.86 -44.15 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.82 -40.72 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.46 -43.66 98.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -59.68 -43.43 94.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.8 95.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -65.09 -39.92 93.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.231 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.99 -41.69 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.49 -47.73 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.244 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.68 -36.19 81.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.196 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.28 -48.45 79.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.234 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.56 -40.42 91.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.167 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.92 -51.83 68.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.13 80.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.217 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.5 mt -64.81 -46.79 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.91 -44.55 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.76 -37.04 85.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.83 95.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.213 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.31 -39.2 93.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.3 -42.37 98.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.19 82.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.03 -42.02 90.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.273 176.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.64 32.96 1.36 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.87 144.01 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.249 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . 0.41 ' OD2' ' NZ ' ' C' ' 77' ' ' LYS . 19.0 t0 -43.12 129.89 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.52 -28.57 70.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.204 -173.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' LYS . . . . . 0.41 ' NZ ' ' OD2' ' C' ' 75' ' ' ASP . 38.4 mtmm -61.98 -57.0 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.65 -30.84 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.59 -48.47 80.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -57.08 -47.94 79.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -56.21 -48.84 75.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 74.3 mtm -62.24 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -175.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.05 -42.35 97.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -177.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.19 -41.5 81.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.87 -39.04 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.72 -47.25 78.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.15 -35.3 75.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.211 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.41 -38.71 88.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.05 -49.13 78.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 171.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -56.0 -48.92 75.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.201 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.83 -43.84 94.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 74.1 m -60.14 -39.65 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.232 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 60.5 tp . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 177.745 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.6 mt . . . . . 0 CA--C 1.523 -0.07 0 CA-C-O 120.868 0.366 . . . . 0.0 111.237 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.47 -50.74 64.51 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.21 -38.48 90.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.216 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.21 -43.46 94.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.231 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.41 -51.81 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -58.68 -45.67 88.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -63.62 -40.93 98.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.0 mt -61.56 -41.2 97.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.77 -40.49 95.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.12 -41.3 97.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.26 -41.97 94.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.28 -41.21 96.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.209 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.96 -39.15 93.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.5 mt -65.44 -42.49 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.262 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.7 mt -58.9 -41.43 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.24 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.51 -50.25 70.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.19 -40.23 93.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.79 -47.48 80.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.256 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -73.62 -43.95 58.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.48 -39.68 85.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.53 79.13 25.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.202 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -54.08 136.71 68.25 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.727 1.618 . . . . 0.0 111.224 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.6 p -164.06 157.18 17.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.09 -36.41 72.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -58.53 -54.62 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.26 -35.01 73.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.204 -174.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.42 -50.47 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.69 -45.65 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 -177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.5 -38.85 92.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.213 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.99 71.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.2 mt -62.64 -46.47 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -56.7 -47.15 80.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.32 92.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.61 -43.09 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.235 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.21 -41.99 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.254 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.93 -42.28 93.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -58.63 -49.34 77.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -56.77 -47.89 79.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.85 89.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.224 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -65.56 -40.35 92.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.412 ' O ' HG12 ' A' ' 48' ' ' ILE . 90.5 mt -64.28 -52.93 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.192 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.32 -40.72 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.24 -45.87 91.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -36.62 84.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 44' ' ' ILE . 25.9 mm -62.63 -39.51 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.231 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.78 -45.5 78.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.258 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.41 87.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.195 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.2 mm -61.79 -41.53 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.248 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.2 -44.62 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.33 -40.97 96.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -63.0 -39.1 93.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -63.77 -37.56 87.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.47 -38.93 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -67.3 -35.45 79.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.91 -40.19 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.07 -43.73 93.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 174.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -61.78 -37.4 84.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.66 -49.33 73.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.221 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -58.77 -41.14 85.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -59.54 -54.97 40.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.196 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.41 -37.31 80.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.2 mt -62.4 -47.75 91.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.97 -42.27 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.56 -39.57 91.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.72 97.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.38 -35.79 81.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -65.84 -40.67 91.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.4 95.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -176.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.0 pt -78.46 -20.74 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.12 46.96 1.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 168.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.9 t -60.52 144.39 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 111.17 169.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.77 134.63 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.49 -46.5 76.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.25 -175.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.11 -46.89 84.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.59 -42.56 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.03 -45.12 93.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.226 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.54 -40.31 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.11 -41.84 99.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.204 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.44 -40.32 85.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.02 -39.81 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.73 -50.52 73.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 173.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.31 -38.85 81.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.66 -50.77 72.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.85 -40.82 92.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.36 -46.62 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.83 -51.54 64.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.35 -42.96 74.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.247 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.58 -36.6 68.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.9 m -61.31 -31.37 71.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.2 mt . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -178.37 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 CA--C 1.523 -0.059 0 CA-C-O 120.815 0.34 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.55 -50.61 65.93 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.24 -38.5 90.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 111.213 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.34 -43.35 94.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.58 -51.72 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -58.66 -45.69 88.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -63.68 -40.92 98.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.149 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.4 -41.31 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.258 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.71 -40.53 95.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.19 -41.12 97.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.256 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 42.7 mt -60.36 -41.99 94.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.32 -41.14 96.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.186 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.01 -39.17 93.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.35 -42.52 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.298 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.91 -41.39 87.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.216 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.62 -50.2 70.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.187 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.12 -40.2 94.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 63.2 tp -63.9 -47.47 80.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.261 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -73.56 -44.0 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -175.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.45 -39.77 85.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.52 79.21 25.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.09 136.71 68.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.755 1.637 . . . . 0.0 111.193 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 90.1 p -164.05 157.25 18.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.2 -36.38 73.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -58.57 -54.53 45.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.34 -34.96 73.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.48 -50.46 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.3 t -64.67 -45.68 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.44 -38.91 92.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.89 71.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.71 -46.5 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -56.63 -47.23 80.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.4 92.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.56 -43.06 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.25 -42.02 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.88 -42.33 93.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 176.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -58.57 -49.38 77.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -56.82 -47.85 79.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.81 89.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.24 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.48 -40.43 93.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.415 ' O ' HG12 ' B' ' 48' ' ' ILE . 90.3 mt -64.35 -52.86 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.226 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.33 -40.72 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -172.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.14 -45.97 91.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.62 84.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.239 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 44' ' ' ILE . 26.0 mm -62.64 -39.47 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.86 -45.43 78.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.33 87.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.244 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 33.9 mm -61.92 -41.54 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.09 -44.72 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.37 -40.93 96.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.96 -39.02 93.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.238 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.93 -37.49 87.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.87 88.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.243 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -67.26 -35.51 79.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.91 -40.2 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.204 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.96 -43.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 174.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -61.87 -37.36 84.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.69 -49.36 73.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -58.73 -41.15 85.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -59.52 -54.99 40.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.44 80.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.238 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 72.6 mt -62.32 -47.86 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.244 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.86 -42.24 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.65 -39.5 91.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.63 98.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.44 -35.78 81.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -65.78 -40.71 92.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.27 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.35 95.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.177 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 pt -78.48 -20.69 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.09 47.02 1.94 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 168.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 38.8 t -60.54 144.39 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.782 0.325 . . . . 0.0 111.191 169.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.77 134.62 0.7 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.42 -46.52 76.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.233 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . 0.401 ' NZ ' ' OE2' ' B' ' 81' ' ' GLU . 64.9 tttm -58.2 -46.8 85.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 -176.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.66 -42.57 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.99 -45.15 93.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.54 -40.34 94.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . 0.401 ' OE2' ' NZ ' ' B' ' 77' ' ' LYS . 97.7 mt-10 -63.12 -41.77 99.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.47 -40.32 85.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.06 -39.72 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.252 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.77 -50.45 73.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.258 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -59.34 -38.87 81.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.64 -50.79 72.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 176.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.78 -40.78 92.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.242 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.41 -46.58 86.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.88 -51.53 64.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.4 -42.86 74.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.57 -36.68 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 66.5 m -61.28 -31.34 71.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.205 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 85.8 mt . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.261 -178.463 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.2 mt . . . . . 0 CA--C 1.523 -0.064 0 CA-C-O 120.839 0.352 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.48 -50.69 65.0 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.25 -38.42 90.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 111.257 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.38 -43.41 94.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.39 -51.85 65.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -58.58 -45.75 88.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -63.58 -40.93 98.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.271 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.52 -41.24 97.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.195 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.8 -40.43 95.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.19 -41.25 97.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.29 -41.98 94.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.23 -41.2 96.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.221 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.02 -39.1 92.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.191 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.46 -42.55 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 mt -58.85 -41.42 86.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.247 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.51 -50.33 70.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.09 -40.25 94.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.85 -47.48 80.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -174.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -73.55 -44.03 58.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -175.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.47 -39.73 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.53 79.18 25.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.12 136.68 68.44 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.73 1.62 . . . . 0.0 111.251 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -164.1 157.18 17.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.09 -36.45 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -58.53 -54.55 45.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.36 -34.92 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.196 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.5 -50.36 78.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.77 -45.65 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.43 -38.91 92.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.235 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -50.89 71.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 89.2 mt -62.73 -46.38 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.288 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -56.7 -47.22 80.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.31 92.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.227 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.6 -42.96 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.298 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -61.34 -42.01 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.96 -42.25 93.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 176.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -58.62 -49.32 77.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.237 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -56.74 -47.95 78.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.8 89.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.264 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.52 -40.4 92.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . 0.409 ' O ' HG12 ' C' ' 48' ' ' ILE . 90.0 mt -64.38 -52.84 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.45 -40.7 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -172.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.13 -45.93 91.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.08 -36.46 84.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.27 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . 0.409 HG12 ' O ' ' C' ' 44' ' ' ILE . 25.9 mm -62.8 -39.4 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.79 -45.55 78.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.272 171.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.38 87.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.236 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 mm -61.91 -41.48 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 62.2 t -61.11 -44.72 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.44 -40.85 95.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.95 -39.11 93.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.86 -37.51 87.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.93 88.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.24 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -67.22 -35.51 79.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.92 -40.19 87.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.94 -43.81 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -61.75 -37.47 84.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.66 -49.32 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.24 173.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -58.6 -41.29 85.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -59.47 -55.06 39.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.4 80.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.223 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.36 -47.82 91.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.83 -42.29 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.182 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.62 -39.52 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.224 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.78 97.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.217 173.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.3 -35.75 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -65.9 -40.72 91.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.39 94.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 pt -78.47 -20.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.09 46.84 1.97 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 169.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 38.9 t -60.41 144.37 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.219 169.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.81 134.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.52 -46.52 77.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.216 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.09 -46.9 84.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -176.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.54 -42.57 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.04 -45.16 93.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.47 -40.39 94.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.08 -41.72 99.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.266 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.52 -40.31 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.04 -39.78 93.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.64 -50.62 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 173.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.23 -38.89 81.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.64 -50.81 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.76 -40.82 92.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -58.36 -46.6 85.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.97 -51.45 64.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.145 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.41 -42.98 74.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.44 -36.69 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.241 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 66.5 m -61.23 -31.41 71.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.181 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 85.5 mt . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 -178.374 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.2 tp . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.812 0.339 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.81 -54.08 40.24 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.79 -32.22 71.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.16 -47.6 79.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.43 -42.43 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -54.02 -46.47 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 174.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -59.41 -39.36 83.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.268 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.32 -41.59 84.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.211 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.88 -37.87 89.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -64.14 -39.99 95.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.61 -39.57 94.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.14 -52.59 64.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -56.48 -48.93 76.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.76 -44.27 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.214 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.75 -46.62 84.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.202 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.35 -39.43 87.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.255 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.62 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.283 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.18 -38.8 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.21 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.69 -37.66 87.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.21 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -80.57 -35.03 34.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.19 94.96 2.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -176.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -81.27 61.45 8.13 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.686 1.591 . . . . 0.0 111.212 -173.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -74.45 155.64 37.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.16 -38.44 79.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.212 175.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.85 -50.3 72.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -64.75 -35.84 82.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.196 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.99 -45.75 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.03 -41.68 90.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.171 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.91 -38.28 87.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.84 82.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.9 mt -60.19 -46.53 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.25 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -49.98 -54.74 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.64 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -177.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.0 mt -64.61 -44.34 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.4 -43.17 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.97 -38.67 92.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 176.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.23 -50.3 73.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.02 -35.78 77.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.17 89.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -66.05 -35.02 79.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.22 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.85 -47.83 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.67 -46.12 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.182 -177.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.42 -37.94 86.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.41 95.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mm -62.61 -42.83 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.19 -48.13 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.226 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.02 83.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.71 -43.13 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.23 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.59 -45.0 97.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.31 -42.11 98.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 177.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.69 -46.41 89.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.225 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.49 -42.42 87.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.37 96.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.58 -37.85 87.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.73 -42.76 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.99 -47.51 91.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.08 -37.46 87.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.295 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -63.36 -49.58 73.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.266 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.07 -39.33 85.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.216 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -55.64 -53.42 56.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.48 85.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.207 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.31 -47.21 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.25 -43.34 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.272 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.46 -40.66 92.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.92 -44.93 96.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.61 -35.09 79.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.185 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.78 -44.46 85.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.47 -34.68 71.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 -175.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.6 pt -88.95 -3.42 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 -175.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.87 47.18 4.87 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 170.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.6 t -72.76 143.72 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.207 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -40.46 129.21 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.43 -38.54 66.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -57.95 -48.11 80.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 -176.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.57 -41.63 92.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.18 -43.06 92.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.63 -43.24 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.96 -44.9 91.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.14 -41.26 94.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.36 -34.82 78.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.26 -45.11 93.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.209 173.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.51 -37.09 85.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.204 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.77 -49.14 73.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.212 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.36 -42.58 98.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.217 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.84 -36.85 82.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.41 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.201 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.97 -32.81 71.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.265 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -56.32 -31.32 63.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.2 p -63.38 -22.1 66.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 92.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.241 -175.26 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 26.1 tp . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.841 0.353 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.89 -54.02 40.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.79 -32.22 71.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.739 0.304 . . . . 0.0 111.154 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.18 -47.59 79.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.4 -42.54 99.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -53.89 -46.5 71.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -59.41 -39.43 83.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.233 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.26 -41.52 84.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.289 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.94 -37.8 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.296 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.18 -39.99 95.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 173.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.62 -39.54 94.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 177.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -58.17 -52.61 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -56.43 -48.95 75.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.8 -44.27 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.74 -46.57 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.41 -39.37 87.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.264 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.59 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.261 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.1 -38.84 90.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.208 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.64 -37.74 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -80.5 -35.09 35.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.2 95.02 2.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -81.26 61.36 8.11 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.699 1.599 . . . . 0.0 111.226 -173.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 97.7 p -74.39 155.64 37.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.16 -38.44 79.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 175.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.79 -50.37 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -64.67 -35.87 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.0 -45.84 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -66.03 -41.59 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.216 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.98 -38.17 87.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.198 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.33 -47.85 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 173.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.21 -46.48 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.306 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -50.03 -54.71 18.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.219 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.61 83.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 75.0 mt -64.63 -44.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.36 -43.24 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.87 -38.72 91.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.266 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.2 -50.28 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 171.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.02 -35.84 77.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.22 89.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -65.94 -35.09 79.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.219 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.82 -47.85 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.7 t -55.67 -46.22 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.29 -37.99 86.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.36 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.0 mm -62.64 -42.76 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.12 -48.2 71.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.242 172.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.96 83.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.195 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.78 -43.1 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.203 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.56 -44.98 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.197 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.4 -42.08 98.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.75 -46.32 89.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -58.61 -42.33 87.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.21 96.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.208 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.71 -37.85 87.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.64 -42.86 95.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.05 -47.46 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 177.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.03 -37.45 87.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.288 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -63.46 -49.58 73.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.184 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.05 -39.36 85.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.235 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -55.61 -53.43 56.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.284 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.51 85.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.38 -47.19 94.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.17 -43.4 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.223 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.59 -40.59 92.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.98 -44.94 96.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.53 -35.1 79.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.77 -44.51 85.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 174.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -34.71 71.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 41.4 pt -88.9 -3.44 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.89 47.24 4.84 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 170.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 36.8 t -72.74 143.69 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.778 0.323 . . . . 0.0 111.237 170.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -40.48 129.2 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.33 -38.62 66.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -57.91 -48.17 80.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -176.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.64 -41.68 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.13 -43.04 91.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.175 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.56 -43.29 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.94 -44.93 91.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.14 -41.31 94.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.29 -34.81 78.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.34 -45.1 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.229 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.43 -37.14 86.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.183 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.7 tp -55.73 -49.15 73.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.4 -42.57 98.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.176 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.79 -36.89 82.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.45 -43.28 99.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.98 -32.79 71.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.22 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -56.44 -31.3 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 82.2 p -63.39 -21.99 66.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.209 -175.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.257 -175.237 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 26.5 tp . . . . . 0 C--O 1.233 0.187 0 CA-C-O 120.857 0.36 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.82 -54.08 40.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.71 -32.26 71.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.856 0.36 . . . . 0.0 111.181 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.16 -47.69 78.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.34 -42.52 99.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.206 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -53.83 -46.56 71.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -59.43 -39.37 83.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.241 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.28 -41.6 84.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.92 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.08 -40.02 95.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.63 -39.59 94.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.188 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.06 -52.66 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.213 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -56.49 -48.94 76.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.74 -44.37 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.63 -46.68 83.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.187 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.38 -39.4 87.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.52 -38.22 90.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.16 -38.77 90.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.73 -37.71 87.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.113 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -80.47 -35.15 35.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.12 95.02 2.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.199 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -81.25 61.34 8.11 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.697 1.598 . . . . 0.0 111.221 -173.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -74.39 155.59 37.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 -177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.09 -38.48 79.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.204 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.82 -50.35 72.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 178.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -64.77 -35.84 82.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.98 -45.75 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.163 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 72.5 t -66.06 -41.66 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.9 -38.21 87.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.73 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.286 173.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.23 -46.49 94.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.275 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -50.03 -54.7 18.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.209 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.6 83.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 75.3 mt -64.56 -44.42 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.34 -43.24 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.92 -38.69 92.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.268 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.21 -50.31 73.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 171.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.99 -35.82 77.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.16 89.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.235 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -66.11 -34.92 79.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.86 -47.9 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.66 -46.13 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.185 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.32 -38.06 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.38 95.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.236 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mm -62.61 -42.75 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.16 -48.25 71.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 172.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.04 83.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.69 -43.25 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.5 -45.04 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.31 -42.08 98.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.75 -46.4 89.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.203 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -58.45 -42.44 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.27 96.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.254 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.72 -37.79 87.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.69 -42.77 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.05 -47.44 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.12 -37.48 87.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -63.42 -49.56 73.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.225 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -60.07 -39.35 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -55.6 -53.47 56.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.55 85.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.202 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.32 -47.15 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.2 -43.39 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.267 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.51 -40.62 92.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.92 96.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 174.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.54 -35.15 79.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.223 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.79 -44.49 85.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.18 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.74 71.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.232 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 41.4 pt -88.88 -3.45 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.92 47.09 4.89 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 170.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -72.67 143.73 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 111.238 170.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -40.49 129.21 2.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.22 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.34 -38.61 66.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.222 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -57.91 -48.19 80.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.53 -41.67 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.11 -43.09 91.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.58 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.87 -44.94 91.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.13 -41.32 94.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.3 -34.77 78.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.43 -44.99 92.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.53 -37.15 85.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.63 -49.21 73.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.235 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.34 -42.61 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.2 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -61.8 -36.87 82.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.36 -43.45 98.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.85 -32.86 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.279 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -56.39 -31.23 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 82.3 p -63.48 -21.96 66.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.158 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 92.3 mt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.268 -175.271 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.821 0.343 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.63 -52.15 54.69 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 173.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.1 -41.19 87.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.741 0.305 . . . . 0.0 111.216 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.24 -45.25 94.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.2 -40.01 86.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.198 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -58.46 -48.16 81.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.3 m -57.91 -40.99 81.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.297 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.06 -39.3 94.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -67.35 -41.83 84.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.85 -38.9 83.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.239 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.4 tp -63.23 -40.75 98.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.213 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.44 -48.65 78.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.204 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.82 -39.03 80.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.12 -46.91 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.5 tp -56.46 -45.9 80.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.35 -42.06 90.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.52 -40.93 96.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.238 174.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.63 -50.06 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.42 -41.54 96.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.77 -41.87 74.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.84 80.64 30.2 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -54.01 135.53 64.07 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.72 1.613 . . . . 0.0 111.212 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.3 p -164.76 155.92 14.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.62 -36.93 74.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.32 -52.18 66.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.28 -31.42 68.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -174.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.73 -49.51 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.201 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.07 -43.41 97.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.202 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.68 -38.84 92.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.236 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.9 88.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.226 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 38' ' ' VAL . 86.1 mt -63.02 -47.45 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.08 -52.46 51.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.29 83.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.8 mt -65.14 -44.93 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 34' ' ' ILE . 64.4 t -58.97 -46.15 91.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.235 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.48 -40.72 97.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.89 -41.68 91.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.197 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -55.9 -43.35 77.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.66 89.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.67 -39.98 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.213 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.02 -45.94 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.68 -40.71 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -59.12 -40.52 85.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.275 175.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.28 99.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.231 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.8 mm -58.44 -45.76 89.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.4 -53.56 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.09 -39.37 78.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.03 -48.2 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.39 -44.52 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.265 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.16 -39.65 94.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -61.58 -43.02 99.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.219 176.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.12 -38.37 82.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.06 93.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.09 -37.31 87.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.274 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.25 -43.21 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.69 -46.67 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -66.43 -37.22 84.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.47 -46.47 89.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 172.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.19 -37.29 79.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -58.1 -47.4 83.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 174.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.4 85.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.258 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.17 -45.39 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.23 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.26 -43.44 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.27 -39.58 93.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.93 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -69.71 -43.99 71.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -60.42 -38.34 83.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.73 -25.47 64.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.6 pt -112.07 23.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -173.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.94 22.17 55.83 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 159.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.7 t -64.17 143.92 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.3 . . . . 0.0 111.181 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -43.62 129.58 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.297 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.23 -45.21 94.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.234 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.31 -46.53 88.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.221 -173.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 90.1 mt -59.93 -43.52 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.57 -43.33 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.53 -41.56 97.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.191 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.11 -39.39 94.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.41 -38.75 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.247 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.95 -40.25 97.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.231 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.36 -38.76 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.02 -38.22 87.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.4 mt -69.92 -35.59 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.42 -40.52 97.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -62.28 -42.71 99.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.83 -42.57 99.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -58.99 -46.23 88.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.32 -37.51 83.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.2 t -64.25 -42.12 96.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.241 -175.546 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 120.837 0.351 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.51 -52.27 53.87 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 173.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.14 -41.13 87.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.34 . . . . 0.0 111.184 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 68.4 mt -62.21 -45.32 93.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.188 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.21 -40.03 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -58.49 -48.11 81.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 62.3 m -57.95 -41.01 81.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.03 -39.3 94.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -67.41 -41.82 84.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.9 -38.87 83.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.248 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 tp -63.15 -40.78 98.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.242 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.49 -48.55 78.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.81 -39.1 80.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.2 -46.89 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -56.46 -45.83 80.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.23 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.43 -42.02 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.63 -40.83 96.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 174.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.68 -49.99 75.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.226 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.49 -41.6 96.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -175.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.52 -42.09 75.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.69 80.56 31.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -54.02 135.51 64.07 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.745 1.63 . . . . 0.0 111.168 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -164.69 156.01 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.7 -36.94 75.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 178.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.23 -52.14 66.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.179 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.39 -31.3 68.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.217 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.85 -49.47 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.06 -43.41 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.7 -38.85 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.42 -46.84 88.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.237 175.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.99 -47.47 92.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.07 -52.36 51.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -38.21 84.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.08 -44.92 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 64.7 t -59.02 -46.16 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.42 -40.81 98.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.182 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.92 -41.6 91.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -55.92 -43.43 77.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.64 89.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.237 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.61 -40.07 94.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.96 -45.96 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.236 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.74 -40.65 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -59.14 -40.54 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.22 99.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 175.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.49 -45.75 89.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.45 -53.47 57.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.19 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.282 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.13 -48.14 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.54 -44.4 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -64.05 -39.72 94.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.68 -42.93 99.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.213 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -60.18 -38.36 82.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.04 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.09 -37.37 87.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.26 -43.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.86 -46.52 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.253 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -66.47 -37.27 84.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.207 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -60.35 -46.47 89.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.24 -37.27 79.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.238 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -58.13 -47.3 83.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.41 85.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.205 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.25 -45.37 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.19 -43.44 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.246 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.25 -39.69 93.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.02 83.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 80.4 mt -69.64 -43.92 71.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.226 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -60.51 -38.36 84.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.65 -25.52 64.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 45.6 pt -112.05 23.46 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.91 22.14 55.96 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 159.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 37.9 t -64.12 143.9 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.735 0.302 . . . . 0.0 111.214 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -43.61 129.52 5.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.277 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.23 -45.25 93.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -176.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.37 -46.44 88.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.04 -43.48 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 65.7 mt -61.51 -43.25 99.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.75 -41.26 97.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.36 -39.31 94.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.36 -38.81 85.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.99 -40.24 97.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.226 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.32 -38.75 90.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.1 -38.21 88.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.193 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.83 -35.64 74.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.3 -40.59 97.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.305 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.43 -42.55 99.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.217 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.88 -42.56 99.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -59.0 -46.17 88.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.227 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -61.41 -37.46 83.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.22 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.1 t -64.22 -42.2 96.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.207 -175.51 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.866 0.365 . . . . 0.0 111.241 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.58 -52.11 54.89 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.11 -41.29 87.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.1 -45.29 94.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.25 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.2 -39.99 86.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -58.43 -48.19 81.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 61.9 m -57.94 -40.99 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.265 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.04 -39.28 94.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.47 -41.78 84.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.82 -38.92 83.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 174.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 37.3 tp -63.26 -40.68 98.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.238 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.46 -48.62 78.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.93 -38.95 80.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.22 -46.87 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.216 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 tp -56.41 -45.88 80.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.233 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.34 -42.15 90.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.62 -40.76 96.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.267 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.68 -50.01 75.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.48 -41.6 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.62 -42.01 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.72 80.6 31.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -53.98 135.52 63.89 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.739 1.626 . . . . 0.0 111.164 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -164.8 155.94 14.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.69 -36.86 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.31 -52.12 66.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.156 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -70.4 -31.25 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -174.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.84 -49.5 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.07 -43.41 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.72 -38.82 92.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.185 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.89 88.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.404 ' O ' HG23 ' C' ' 38' ' ' VAL . 85.8 mt -63.0 -47.4 92.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.17 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.19 -52.42 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.27 83.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 76.0 mt -65.1 -44.97 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.404 HG23 ' O ' ' C' ' 34' ' ' ILE . 65.0 t -58.93 -46.2 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.248 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.49 -40.71 97.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.97 -41.61 90.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.223 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -55.96 -43.32 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.72 89.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.61 -39.96 94.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -69.09 -45.96 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.66 -40.74 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -59.14 -40.49 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.246 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.23 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.46 -45.73 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.44 -53.48 57.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.25 -39.22 78.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.16 -48.06 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.57 -44.48 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.23 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -63.96 -39.79 94.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.61 -43.02 99.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.09 -38.38 82.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.92 94.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.1 -37.36 87.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.296 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.26 -43.17 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.72 -46.64 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -66.44 -37.21 84.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.43 -46.5 89.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 172.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.24 -37.25 79.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -58.13 -47.26 83.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.42 85.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.25 -45.32 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.246 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.28 -43.46 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.13 -39.77 93.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.63 -37.95 83.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.128 175.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.63 -44.04 71.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -60.47 -38.31 83.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.62 -25.49 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 45.5 pt -112.14 23.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 -173.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.97 22.01 56.12 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 159.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 37.8 t -64.1 143.92 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 111.205 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -43.6 129.57 5.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.25 -45.28 93.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.29 -46.5 88.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.212 -172.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.94 -43.54 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.218 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.53 -43.22 99.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.69 -41.45 97.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.16 -39.45 94.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 77.2 mtm -67.36 -38.75 85.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.271 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.91 -40.32 97.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.27 -38.84 90.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -62.0 -38.27 87.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.86 -35.57 74.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.267 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.3 -40.64 97.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.281 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.37 -42.57 99.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.22 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 54.0 mt -62.91 -42.57 99.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -59.11 -46.1 89.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.39 -37.47 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.222 178.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 34.0 t -64.27 -42.08 96.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 78.2 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 -175.525 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.233 0.19 0 CA-C-O 120.791 0.329 . . . . 0.0 111.244 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.09 -30.56 5.97 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -75.92 -40.05 54.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 111.222 -175.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.59 -38.06 89.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.224 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.19 -46.9 75.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -55.79 -51.16 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.225 173.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.2 m -61.99 -39.76 93.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.566 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.4 tm? -66.13 -47.65 73.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.244 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.34 -36.91 85.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.0 -37.79 78.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 174.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.08 -43.86 95.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.202 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.89 -46.18 82.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.17 174.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -55.26 -46.02 76.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.79 -43.79 97.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 tp -55.53 -49.44 72.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.188 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.38 -40.79 92.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.198 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.6 -39.22 91.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.09 -49.96 75.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.282 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.55 -40.62 97.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.254 -175.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.29 -41.35 81.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.43 80.01 34.36 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.272 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.62 134.56 62.86 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.62 1.547 . . . . 0.0 111.226 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -164.95 156.26 14.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.237 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.04 -38.61 79.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.02 -51.25 70.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -65.43 -34.34 78.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.47 -48.83 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 177.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.01 -43.83 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.245 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.99 -37.86 89.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.225 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.53 -47.07 87.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 174.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.36 -46.63 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.207 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.29 -53.45 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.172 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.82 83.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.89 -46.38 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.06 -45.58 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.05 -41.5 98.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.44 -50.52 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 174.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.66 -39.99 90.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.58 -42.37 82.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.01 -36.59 80.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.78 -48.21 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.79 -41.31 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.253 -176.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.81 -39.28 93.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 175.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.05 93.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.91 -44.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -64.92 -46.65 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.33 98.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 93.5 mt -67.63 -51.84 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.47 -43.3 94.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.249 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.89 -41.78 99.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -61.83 -41.95 98.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.261 175.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.65 -39.41 93.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.165 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.58 90.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.287 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -66.01 -37.26 85.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.206 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.7 mt -61.55 -42.5 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.03 -45.38 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.2 -39.06 93.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.224 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -57.92 -45.33 86.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.27 -36.03 76.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.265 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -59.72 -45.74 91.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.227 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.92 77.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.189 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.59 -41.95 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.5 -43.58 91.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.11 -39.93 87.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.158 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.67 98.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.225 174.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.3 -40.49 96.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -64.98 -37.27 87.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -36.77 76.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.224 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.0 mm -74.06 -40.14 51.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.184 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.82 41.35 0.85 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.24 140.2 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.724 0.297 . . . . 0.0 111.169 169.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -41.55 127.31 3.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.69 -34.88 73.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.238 -174.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.26 -47.99 80.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.65 -43.64 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.41 -45.39 80.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -64.9 -37.0 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.71 -45.75 85.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 175.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.51 -36.62 83.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.5 -40.87 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.15 -44.67 87.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -56.13 -43.47 78.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -73.17 -39.27 65.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.186 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.07 -46.4 82.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.15 -41.42 99.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.198 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.64 -44.02 87.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -58.24 -43.55 87.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.266 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.15 -46.33 87.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 t -59.69 -40.18 87.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.256 -174.585 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.821 0.343 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.12 -30.47 5.99 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -75.92 -40.14 54.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -175.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.59 -38.05 89.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.14 -46.99 75.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.226 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -55.79 -51.13 68.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -62.06 -39.74 93.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.182 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.565 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.4 tm? -66.11 -47.68 73.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.265 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.33 -36.93 85.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.08 -37.76 78.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.1 -43.87 95.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.87 -46.16 82.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.188 174.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -55.22 -46.09 75.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.74 -43.77 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.0 tp -55.55 -49.37 72.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.42 -40.81 92.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.58 -39.25 91.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.03 -50.05 74.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.61 -40.52 97.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.259 -175.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.26 -41.54 80.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.29 80.05 34.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.236 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -54.66 134.55 62.92 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.704 1.602 . . . . 0.0 111.22 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -164.99 156.24 14.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.251 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.07 -38.57 79.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.98 -51.26 70.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -65.4 -34.41 78.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.5 -48.87 85.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.02 -43.79 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.09 -37.84 88.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.08 87.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.266 174.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.37 -46.68 96.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.23 -53.47 43.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.178 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.83 83.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.88 -46.36 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.7 t -62.03 -45.67 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.223 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -61.96 -41.54 98.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.46 -50.55 73.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.261 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.62 -39.95 90.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.46 82.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.231 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.0 -36.49 80.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.84 -48.22 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.8 -41.35 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.78 -39.23 93.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.06 93.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.98 -44.55 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.99 -46.63 80.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.23 98.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.183 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.9 mt -67.71 -51.77 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -176.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.45 -43.35 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 -176.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.95 -41.71 99.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.94 -41.96 98.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.56 -39.46 93.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.57 90.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.275 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.94 -37.39 85.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 82.9 mt -61.47 -42.53 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.224 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.95 -45.43 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.25 -39.01 93.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -57.89 -45.33 86.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.38 -36.03 77.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -59.67 -45.78 91.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.94 77.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.206 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.64 -41.87 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.51 -43.53 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.18 -39.84 87.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.71 98.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.28 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.25 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -64.97 -37.21 86.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.72 -36.67 77.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.171 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 40.1 mm -74.13 -40.09 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.81 41.27 0.86 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.17 140.17 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.178 169.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -41.5 127.3 3.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.143 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.7 -34.88 73.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.26 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.25 -47.97 80.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.72 -43.56 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.257 177.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.37 -45.49 79.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -175.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.78 -37.1 86.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.65 -45.74 85.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.46 -36.69 83.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.33 -40.99 88.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.178 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.08 -44.82 87.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -56.11 -43.36 78.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -73.28 -39.28 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.0 -46.48 82.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.06 -41.44 99.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.23 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.71 -44.0 87.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -58.14 -43.73 87.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.07 -46.29 88.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.254 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 43.4 t -59.73 -40.23 87.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.258 -174.545 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.801 0.334 . . . . 0.0 111.232 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.14 -30.45 6.0 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.01 -40.06 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.746 0.308 . . . . 0.0 111.113 -175.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.63 -38.0 89.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.236 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.21 -46.96 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.213 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -55.8 -51.16 68.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 174.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -62.06 -39.62 93.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.561 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.4 tm? -66.19 -47.65 73.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.238 -176.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -65.35 -36.88 85.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.09 -37.73 78.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.1 -43.88 95.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.86 -46.26 81.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 174.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.21 -46.02 75.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.235 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.7 -43.8 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 tp -55.56 -49.41 72.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.188 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.34 -40.85 92.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.6 -39.23 91.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 175.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.01 -50.03 75.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.62 -40.6 97.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.25 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.25 -41.39 81.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.39 80.02 34.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.265 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -54.6 134.57 62.79 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 121.643 1.562 . . . . 0.0 111.183 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.4 p -164.97 156.26 14.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.02 -38.64 79.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.257 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.98 -51.25 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.207 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.234 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.41 -48.9 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.07 -43.68 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.255 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.11 -37.82 88.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.07 87.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.41 -46.63 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.17 -53.6 41.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.75 -37.79 82.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.327 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.99 -46.29 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.06 -45.62 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.97 -41.55 98.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.42 -50.52 73.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.272 174.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.64 -40.01 90.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.176 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.47 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.221 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.01 -36.47 80.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.83 -48.17 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.85 -41.38 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -176.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.78 -39.26 93.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 175.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -39.09 93.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.91 -44.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.9 -46.65 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.32 98.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 93.4 mt -67.69 -51.7 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 -176.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.54 -43.24 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -41.67 99.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.245 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.94 -41.98 98.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.46 -39.5 93.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.56 90.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 176.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.94 -37.32 85.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.243 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.49 -42.52 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.05 -45.32 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.23 -39.07 93.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -57.9 -45.24 86.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.44 -36.04 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.137 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -59.61 -45.87 90.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.87 77.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 177.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.62 -41.91 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.49 -43.56 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.13 -39.88 87.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.31 -40.52 96.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -64.94 -37.31 87.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.81 76.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.235 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 39.8 mm -74.06 -40.08 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.79 41.26 0.86 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.2 140.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 169.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -41.56 127.31 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.78 -34.79 73.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.228 -174.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.27 -47.96 80.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.69 -43.64 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.255 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.36 -45.45 80.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -175.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.87 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.84 -45.57 86.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 175.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.54 -36.67 83.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.46 -40.9 88.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.01 -44.9 87.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -56.1 -43.43 78.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.14 -39.29 65.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.02 -46.52 82.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.07 -41.41 99.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.25 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.66 -44.04 87.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -58.12 -43.7 87.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.267 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.03 -46.49 87.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 43.2 t -59.59 -40.22 86.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 77.9 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 -174.524 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.574 0 N-CA-C 111.198 -0.761 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.5 t -154.29 146.21 23.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.928 0.394 . . . . 0.0 111.174 -177.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -105.34 108.11 19.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.322 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 88.1 mt -62.8 -36.57 83.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.159 -173.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.61 -53.42 46.22 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.161 -0.776 . . . . 0.0 111.161 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -62.23 -37.45 85.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.687 0.279 . . . . 0.0 111.141 -177.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 36.9 tp -63.69 -50.3 69.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.199 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.86 -45.12 95.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.194 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.9 -49.97 73.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.24 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -61.27 -32.67 72.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.2 tm? -62.09 -45.93 91.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.281 178.677 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -62.81 -36.76 84.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.197 178.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -67.3 -37.38 83.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 175.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.04 -43.55 95.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.216 174.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.35 -45.49 80.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.256 174.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.84 -43.81 77.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.2 -44.46 99.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.293 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 57.9 tp -55.05 -48.71 73.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 177.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.55 -40.66 88.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.174 -178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.24 -39.35 89.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.205 175.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.8 tp -60.26 -49.95 75.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 177.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.1 -40.57 94.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.231 -175.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.87 -38.91 92.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.184 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.97 83.73 8.5 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.247 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -55.59 135.63 70.23 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.75 1.633 . . . . 0.0 111.198 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -162.79 156.41 20.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.258 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.62 -38.36 77.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.236 177.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.19 -51.81 68.41 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.237 178.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.88 -33.84 76.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 -176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.5 -49.18 83.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 57.1 t -64.4 -43.57 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.2 -179.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.04 -38.13 89.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.154 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.73 -47.09 87.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.181 174.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.67 -46.57 96.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.26 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.73 -54.19 31.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.212 178.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.43 -38.25 83.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.244 -178.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.4 mt -64.15 -46.27 94.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.159 178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.8 t -62.97 -43.99 99.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.179 -179.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -61.24 -41.32 96.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 177.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.06 -42.59 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 174.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -58.2 -37.14 74.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 -177.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.45 -47.13 82.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.186 177.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 97.0 mm-40 -73.71 -34.87 65.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.293 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.425 HG23 HD11 ' C' ' 48' ' ' ILE . 63.4 mt -60.52 -46.93 94.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.239 179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.69 -46.35 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.128 -178.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.4 mm-40 -67.25 -38.02 84.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.161 -174.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -69.0 -34.86 75.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.175 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.419 HD11 HG23 ' B' ' 44' ' ' ILE . 74.4 mt -65.2 -48.96 81.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.177 170.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -62.27 -51.19 68.73 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.227 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.58 -37.53 75.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.207 -175.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 68.0 mt -59.99 -44.67 95.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.178 178.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.47 -43.58 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 -178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.84 -40.64 98.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.197 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.72 -39.63 93.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.173 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.4 HD21 HG23 ' B' ' 51' ' ' ILE . 99.6 m-20 -61.21 -39.55 90.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 177.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.62 -39.08 79.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.233 176.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.46 -40.55 89.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.133 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.95 -44.72 99.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.239 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 73.4 t -65.28 -41.23 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.181 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.27 -38.72 90.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.191 174.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.51 -40.43 96.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.208 175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -61.8 -39.49 91.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 177.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.37 -41.1 96.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.174 175.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.61 -37.21 85.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.207 176.061 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 79.3 mt -63.67 -41.73 93.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -55.81 -43.8 75.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.189 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.61 -46.84 87.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.232 174.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.36 81.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.41 -47.85 71.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.76 -33.62 74.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.215 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.02 -32.67 66.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -175.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.456 HD12 ' C ' ' A' ' 72' ' ' ILE . 2.8 pp -113.28 20.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -173.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.5 44.62 5.49 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.14 -0.784 . . . . 0.0 111.14 159.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.1 t -80.91 136.55 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.751 0.31 . . . . 0.0 111.2 166.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.58 124.49 16.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.206 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.6 -24.29 65.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.244 -179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.41 -32.48 39.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.281 177.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 97.1 mt -86.81 -47.54 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.172 178.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.9 mt -67.68 -39.54 84.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -170.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.38 -35.18 78.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.26 -172.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -68.09 -37.85 81.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.213 179.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 50.3 mtm -67.27 -37.43 83.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.244 174.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.91 -40.83 85.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.174 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.47 -44.86 95.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 176.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.21 -43.12 74.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.197 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.27 -37.52 85.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.29 -51.82 67.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.169 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -69.07 -38.43 79.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.126 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.9 tp -59.01 -50.13 75.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.208 178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.26 -44.69 72.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.214 175.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -54.62 -39.87 68.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 57.4 p -76.66 -10.55 59.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.234 -174.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 96.8 mt -96.6 -35.15 11.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.227 -179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -75.59 151.94 37.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.201 -177.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -133.19 154.77 50.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.212 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.052 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 177.261 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.553 0 N-CA-C 111.221 -0.751 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 45.3 t -154.25 146.28 23.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.818 0.342 . . . . 0.0 111.154 -177.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -105.39 108.14 19.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.253 177.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.9 mt -62.83 -36.47 83.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.217 -173.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.74 -53.42 46.31 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -179.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -62.12 -37.48 85.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.766 0.317 . . . . 0.0 111.188 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 36.5 tp -63.72 -50.23 69.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -61.97 -45.04 95.39 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.173 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -56.9 -50.05 73.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 175.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.3 m -61.22 -32.62 72.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.221 -179.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.488 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.2 tm? -62.14 -45.92 91.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.214 178.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -62.82 -36.78 84.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.222 178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 38.6 mmt180 -67.23 -37.39 83.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.302 175.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.01 -43.65 95.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.172 174.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -56.36 -45.42 80.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.244 174.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.87 -43.79 77.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 177.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.3 -44.37 99.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.294 178.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.3 tp -55.07 -48.76 73.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.139 177.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -59.59 -40.52 87.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.226 -178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.36 -39.31 89.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.186 175.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.24 -49.98 75.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 177.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -65.01 -40.65 95.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.268 -175.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.83 -38.88 92.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.257 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.97 83.7 8.52 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.227 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -55.61 135.64 70.31 Favored 'Trans proline' 0 N--CA 1.458 -0.591 0 C-N-CA 121.751 1.634 . . . . 0.0 111.22 -178.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.0 p -162.83 156.39 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.238 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.55 -38.44 77.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.237 177.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.1 -51.88 68.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.231 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.85 -33.92 76.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.165 -176.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.0 mt -63.45 -49.27 83.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 56.8 t -64.34 -43.56 97.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.214 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -64.99 -38.14 89.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.226 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.69 -47.08 87.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 174.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.0 mt -61.69 -46.61 96.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.233 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.63 -54.34 28.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.174 178.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.4 -38.12 83.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.266 -178.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.27 -46.23 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.2 178.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.93 -44.07 99.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 -179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.12 -41.35 96.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.221 177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.06 -42.7 99.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.192 174.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -58.01 -37.25 73.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.189 -177.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.04 82.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -73.82 -34.9 64.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.198 178.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.419 HG23 HD11 ' A' ' 48' ' ' ILE . 63.3 mt -60.48 -46.96 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 179.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.6 t -63.7 -46.37 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -178.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.19 -38.09 84.78 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.169 -174.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.93 -34.94 76.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.427 HD11 HG23 ' C' ' 44' ' ' ILE . 74.1 mt -65.21 -48.85 81.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 170.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 68.5 ttp85 -62.36 -51.22 68.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.163 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.44 75.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.198 -175.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.4 HG23 HD21 ' A' ' 55' ' ' ASN . 68.1 mt -59.94 -44.72 95.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.184 178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 71.1 t -60.52 -43.54 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.182 -178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -62.85 -40.69 98.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.229 176.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.62 -39.65 94.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.229 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.403 HD21 HG23 ' C' ' 51' ' ' ILE . 99.5 m-20 -61.18 -39.54 90.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.226 177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.71 -39.03 79.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.223 176.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.54 -40.38 89.04 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.21 176.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 87.2 mt -62.01 -44.75 99.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.23 178.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 72.9 t -65.29 -41.2 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.117 178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -62.29 -38.72 90.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.188 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.51 -40.46 96.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.192 175.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -61.76 -39.58 92.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.229 177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.35 -41.0 96.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.232 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.63 -37.16 85.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.203 176.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 78.8 mt -63.82 -41.64 93.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 176.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 32.8 mm -55.88 -43.7 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.174 177.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.76 -46.81 88.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.91 -39.31 81.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 178.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 73.6 mt -66.37 -47.93 71.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.14 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 50.5 tt0 -61.74 -33.59 74.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.248 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.07 -32.59 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.251 -175.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . 0.453 ' C ' HD12 ' B' ' 72' ' ' ILE . 2.8 pp -113.38 20.36 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 -173.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.49 44.54 5.51 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 159.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 54.2 t -80.84 136.56 22.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.765 0.317 . . . . 0.0 111.211 166.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.58 124.48 16.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.186 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 97.2 mt-30 -60.7 -24.15 65.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.55 -32.4 40.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 177.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 97.0 mt -86.88 -47.51 16.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.178 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 84.3 mt -67.69 -39.58 84.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.188 -170.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.41 -35.11 78.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.22 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -68.15 -37.84 81.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.196 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 50.4 mtm -67.24 -37.5 83.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.206 174.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -58.99 -40.75 85.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.064 176.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.52 -44.77 95.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.21 176.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.25 -43.11 74.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.203 -177.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.24 -37.57 85.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -177.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.26 -51.86 67.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.186 179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -69.0 -38.42 79.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 -178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 59.8 tp -59.08 -50.1 75.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.197 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.21 -44.78 71.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.175 175.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -54.59 -39.88 68.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -76.63 -10.66 59.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.211 -174.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 96.7 mt -96.45 -35.21 11.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.249 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 79.3 mt-10 -75.66 152.01 37.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -133.18 154.75 50.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.227 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.049 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 177.262 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.567 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 45.6 t -154.19 146.29 23.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.877 0.37 . . . . 0.0 111.153 -177.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 23.7 t-160 -105.39 108.1 19.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.322 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 88.2 mt -62.79 -36.52 83.4 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.201 -173.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.66 -53.4 46.41 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -62.22 -37.45 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.774 0.321 . . . . 0.0 111.191 -177.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 36.6 tp -63.62 -50.28 69.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.212 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -61.91 -45.1 95.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.213 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -56.83 -50.03 73.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.226 175.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.2 m -61.27 -32.63 72.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.224 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.49 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.2 tm? -62.17 -45.85 91.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.262 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -62.89 -36.7 84.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.211 178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mmt180 -67.35 -37.37 83.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.215 175.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.05 -43.55 95.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 174.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 64.3 ttp85 -56.48 -45.37 80.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.264 174.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.88 -43.79 77.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.212 177.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.29 -44.44 99.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.257 178.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 58.4 tp -54.99 -48.78 72.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.156 177.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -59.49 -40.64 87.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.174 -178.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.4 mtt-85 -66.31 -39.38 89.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.129 175.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -60.24 -49.97 75.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 178.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -65.11 -40.6 94.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.226 -175.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -64.83 -38.85 92.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.279 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -145.99 83.7 8.51 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.217 -179.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_exo -55.61 135.58 70.02 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.758 1.638 . . . . 0.0 111.242 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.2 p -162.74 156.48 20.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.62 -38.39 77.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.307 177.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.11 -51.81 68.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.277 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 93.9 mm-40 -65.89 -33.9 76.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.186 -176.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.39 -49.24 83.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.223 177.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 56.6 t -64.39 -43.59 97.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.154 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.97 -38.11 89.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.75 -47.02 88.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.231 174.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.65 -46.62 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.243 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -51.78 -54.16 31.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.18 178.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.48 -38.18 83.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 -178.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 78.2 mt -64.24 -46.17 94.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 178.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.02 -43.98 99.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.228 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -61.18 -41.33 96.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.201 177.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -63.08 -42.58 99.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.154 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -58.24 -37.14 74.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.142 -177.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.37 -47.22 82.21 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 96.9 mm-40 -73.7 -34.88 65.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.224 178.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.427 HG23 HD11 ' B' ' 48' ' ' ILE . 62.8 mt -60.54 -46.94 94.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.183 179.192 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -63.6 -46.4 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.185 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -67.19 -38.07 84.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.223 -174.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.96 -34.91 76.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.425 HD11 HG23 ' A' ' 44' ' ' ILE . 74.1 mt -65.22 -48.93 81.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.169 170.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 68.6 ttp85 -62.33 -51.19 68.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.201 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.51 -37.64 76.02 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 -175.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.403 HG23 HD21 ' B' ' 55' ' ' ASN . 68.3 mt -59.86 -44.72 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.161 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 71.7 t -60.54 -43.47 94.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.246 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.91 -40.64 98.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.168 176.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -64.71 -39.56 93.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.283 176.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -61.19 -39.55 90.59 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.249 177.336 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -58.63 -39.06 79.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.273 176.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 72.4 tp60 -66.61 -40.27 88.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.19 176.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 86.9 mt -62.14 -44.65 99.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.22 178.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.34 -41.2 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -62.2 -38.71 90.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.209 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -62.61 -40.45 96.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 175.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -61.72 -39.57 91.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.242 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 77.3 mtp85 -61.3 -41.09 96.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.201 175.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.74 -37.15 85.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 176.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 79.1 mt -63.65 -41.76 93.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 175.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 32.9 mm -55.76 -43.81 75.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.246 176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 89.4 tt0 -59.66 -46.81 87.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.231 174.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.33 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.179 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 73.5 mt -66.38 -47.93 71.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.156 178.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -61.68 -33.62 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.296 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -56.95 -32.74 66.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.247 -175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' ILE . . . . . 0.457 ' C ' HD12 ' C' ' 72' ' ' ILE . 2.8 pp -113.3 20.31 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.155 -173.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 87.52 44.57 5.5 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 159.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 54.0 t -80.87 136.51 23.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.698 0.285 . . . . 0.0 111.258 166.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 62.3 t0 -54.55 124.46 16.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.181 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -60.61 -24.24 65.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.188 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -52.49 -32.49 40.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.21 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 97.0 mt -86.83 -47.51 16.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.138 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 84.6 mt -67.7 -39.57 84.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -170.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -62.39 -35.21 78.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.194 -172.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -68.06 -37.87 81.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.185 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 50.3 mtm -67.3 -37.43 83.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.175 174.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -58.98 -40.8 85.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.099 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 92.7 mttt -62.44 -44.88 95.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.157 176.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 93.7 mt-30 -69.21 -43.15 74.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.179 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.2 -37.58 85.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.208 -177.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -61.18 -51.91 67.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.227 178.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -68.99 -38.37 79.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.192 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 59.6 tp -59.11 -50.05 75.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 178.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -54.27 -44.73 72.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.216 175.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 72.9 ttp85 -54.65 -39.87 68.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.184 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 57.5 p -76.57 -10.6 59.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.239 -174.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 96.6 mt -96.61 -35.18 11.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 -179.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -75.53 151.96 37.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.243 -177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 91.5 mmt-85 -133.18 154.76 50.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.216 175.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.063 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 177.261 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.55 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.2 m -60.18 -42.55 95.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.777 0.322 . . . . 0.0 111.232 -175.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -81.48 -42.28 20.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.297 -178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.09 -37.6 85.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.154 -175.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.98 -62.08 6.48 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 -178.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.83 -34.99 72.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.732 0.301 . . . . 0.0 111.175 -177.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.05 -49.95 75.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.208 -178.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.27 -44.29 95.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -55.93 -47.7 77.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 174.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t -57.2 -41.86 80.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.158 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.68 -32.76 74.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.212 -179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.1 -41.27 99.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.224 175.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -69.3 -36.7 77.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.211 174.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.2 -39.18 85.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.145 175.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.41 -48.02 77.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 173.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.89 -38.31 85.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.49 -44.96 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.207 174.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.2 tp -57.13 -45.43 83.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.203 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.51 -46.72 76.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.248 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -64.02 -39.56 94.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.24 176.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 68.3 tp -60.83 -47.59 85.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.21 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.84 -42.36 81.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.239 -176.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.63 -42.49 74.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.215 -177.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.08 79.91 30.82 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.172 -178.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -54.16 136.09 66.7 Favored 'Trans proline' 0 N--CA 1.457 -0.641 0 C-N-CA 121.746 1.631 . . . . 0.0 111.167 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 92.3 p -164.3 157.03 17.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.2 -36.41 73.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.21 177.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.82 -52.44 65.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.233 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -68.46 -34.18 75.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.168 -175.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.27 -49.81 81.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.162 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.1 t -64.44 -44.25 97.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.237 -178.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.77 -39.49 94.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.167 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.36 -50.5 72.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.183 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.29 -45.01 99.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.247 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.37 -53.95 19.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.241 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.16 -40.25 93.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -179.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 81.2 mt -62.32 -42.99 97.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.245 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.1 t -59.29 -47.45 90.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.196 178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.26 -39.26 93.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.234 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.38 -41.31 98.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.237 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -60.14 -40.25 89.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.148 179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.04 -42.91 95.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 177.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.84 -36.97 83.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.219 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 80.3 mt -61.95 -52.22 63.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.247 177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 48.0 t -61.6 -42.49 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.166 -174.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.54 -39.85 95.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.219 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.96 83.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.149 173.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -74.79 -41.3 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.171 -174.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.31 -43.67 79.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.252 171.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -42.3 86.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.6 mt -63.8 -44.24 98.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.16 -42.92 95.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.234 177.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.12 -39.44 94.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.216 175.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.01 -38.33 90.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -61.79 -39.05 90.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 175.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.26 -39.16 89.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.34 -39.17 92.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.216 176.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 84.9 mt -62.42 -41.72 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.257 176.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 39.9 t -57.86 -50.34 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 177.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.64 -35.74 80.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.155 -177.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.44 -50.2 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.094 171.03 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -57.77 -38.7 75.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.236 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.31 -53.46 57.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 175.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.34 -37.88 82.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.229 179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.68 -47.83 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.217 176.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.71 -42.18 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.9 -39.84 90.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.228 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.38 -41.0 96.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.229 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.44 -37.47 80.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.249 179.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.43 -40.88 96.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 173.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.97 -47.28 78.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.18 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -69.98 -25.93 28.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.236 -176.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.44 53.79 1.05 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 167.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 31.4 m -75.95 167.35 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.793 0.33 . . . . 0.0 111.17 175.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -52.4 127.83 23.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.194 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.82 -37.09 70.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.203 -177.482 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -58.26 -52.0 67.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 -176.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.85 -40.88 90.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.24 177.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 64.4 tp -54.3 -47.62 72.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.207 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.59 -41.02 93.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.177 -179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.25 -44.59 96.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 177.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.0 mtm -61.99 -42.22 98.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.216 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.38 -39.3 92.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.24 -178.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.2 -48.9 76.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.263 174.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -60.18 -35.99 76.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.172 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.58 -50.65 72.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 175.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.67 -44.22 86.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.209 -177.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.95 -41.92 97.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.229 -179.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 64.2 tp -65.79 -47.03 76.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -61.76 -42.89 99.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.228 -178.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.61 -34.71 76.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.4 m -68.24 -16.07 63.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.253 -175.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.79 -27.32 68.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 -176.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -62.34 -24.35 67.29 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.171 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.533 ' O ' ' C ' ' A' ' 96' ' ' GLY . 74.9 mtm180 -70.51 -25.1 62.98 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.235 -176.043 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.533 ' C ' ' O ' ' A' ' 95' ' ' ARG . . . . . . . . 0 C--O 1.201 -1.947 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 -171.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.563 0 N-CA-C 111.281 -0.727 . . . . 0.0 111.281 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -60.16 -42.58 95.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.797 0.332 . . . . 0.0 111.239 -175.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -81.45 -42.31 20.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 78.4 mt -62.05 -37.64 85.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 -175.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.96 -62.15 6.4 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.241 -0.743 . . . . 0.0 111.241 -178.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.7 -35.0 72.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.797 0.332 . . . . 0.0 111.213 -177.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.6 tp -61.09 -49.98 75.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -178.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -60.23 -44.32 95.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 179.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -55.9 -47.74 76.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.156 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 46.6 t -57.2 -41.82 80.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.171 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 46.9 mt -64.71 -32.82 74.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.159 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.07 -41.23 99.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 175.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -69.36 -36.72 77.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 174.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 44.1 tp -60.2 -39.12 85.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.162 175.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.48 -47.99 78.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 173.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.9 -38.29 85.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.167 179.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.5 -44.94 98.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.219 174.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.12 -45.46 83.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.61 -46.66 77.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.223 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.3 mtm-85 -63.91 -39.63 94.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.275 176.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 tp -60.83 -47.54 85.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.249 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.93 -42.32 81.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.194 -176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.62 -42.49 74.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 -177.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 67.6 m-80 -138.07 79.89 30.96 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.157 -178.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -54.18 136.09 66.84 Favored 'Trans proline' 0 N--CA 1.457 -0.618 0 C-N-CA 121.668 1.579 . . . . 0.0 111.205 -179.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 92.7 p -164.25 157.06 17.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.158 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.24 -36.37 73.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.195 177.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -60.9 -52.43 65.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -68.36 -34.24 75.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.219 -175.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.25 -49.77 81.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.224 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.3 t -64.53 -44.2 96.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.246 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.77 -39.49 94.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.162 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.38 -50.46 72.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.216 175.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 88.3 mt -62.29 -45.0 99.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.224 179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.4 -53.97 19.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.247 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.08 -40.33 93.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 81.3 mt -62.28 -43.03 97.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.214 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.7 t -59.25 -47.46 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.22 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.34 -39.23 93.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.227 178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.32 -41.34 98.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.266 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.12 -40.28 89.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.118 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.95 95.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.195 177.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.82 -36.94 83.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.22 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 79.8 mt -62.07 -52.14 64.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.211 178.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 48.1 t -61.57 -42.53 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -174.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.56 -39.9 95.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.179 -179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.14 -36.99 83.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.13 173.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 78.4 mt -74.75 -41.28 47.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.169 -174.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.33 -43.72 79.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.203 171.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.15 -42.36 85.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.203 177.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.7 -44.31 98.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.13 -42.92 95.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.229 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.15 -39.36 94.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.215 175.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.05 -38.34 90.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.215 176.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -61.78 -39.05 90.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 175.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.13 89.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.286 175.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.35 -39.16 91.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 176.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.5 -41.73 93.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 176.453 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.86 -50.35 78.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.144 177.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -66.57 -35.81 81.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.198 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.36 -50.2 74.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 171.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -57.74 -38.78 75.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.16 -53.48 56.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.278 175.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.44 -37.81 82.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 71.9 mt -61.76 -47.83 91.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.167 176.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.68 -42.18 94.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.13 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.92 -39.82 90.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.201 177.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.41 -40.98 96.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.255 175.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.1 mt -68.42 -37.54 80.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.203 179.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -61.39 -40.86 95.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.149 173.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.25 78.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -178.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -70.01 -25.93 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.191 -176.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.48 53.73 1.05 Allowed Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 167.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 31.5 m -75.92 167.35 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.766 0.317 . . . . 0.0 111.196 175.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . 0.402 ' OD2' ' NZ ' ' B' ' 77' ' ' LYS . 20.1 t0 -52.42 127.89 23.84 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.244 -179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.87 -37.06 70.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.217 -177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.402 ' NZ ' ' OD2' ' B' ' 75' ' ' ASP . 38.4 mtmm -58.21 -52.12 66.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.156 -176.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.76 -40.92 90.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.243 177.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 64.5 tp -54.32 -47.59 72.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.61 -40.97 93.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.231 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.21 -44.62 96.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.232 177.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.06 -42.23 98.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.176 -178.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -62.28 -39.38 92.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.274 -178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.21 -48.87 76.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.231 174.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.17 -36.05 76.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 -178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.56 -50.64 72.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 175.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -65.67 -44.28 86.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.91 -41.9 97.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.216 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.82 -47.02 76.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.221 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -61.79 -42.87 99.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.172 -178.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.6 -34.74 76.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 70.1 m -68.21 -16.09 63.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -175.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 93.8 mt -61.8 -27.3 68.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.195 -176.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.33 -24.36 67.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -175.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . 0.546 ' O ' ' C ' ' B' ' 96' ' ' GLY . 74.8 mtm180 -70.48 -25.16 63.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 -176.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . 0.546 ' C ' ' O ' ' B' ' 95' ' ' ARG . . . . . . . . 0 C--O 1.2 -1.978 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 -171.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.534 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -60.2 -42.53 95.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.843 0.354 . . . . 0.0 111.243 -175.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 89.9 m-70 -81.52 -42.25 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.261 -178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 78.3 mt -62.06 -37.63 85.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.181 -175.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -53.96 -62.13 6.42 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.051 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -70.73 -35.04 72.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.81 0.338 . . . . 0.0 111.186 -177.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.07 -49.96 75.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.139 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -60.24 -44.34 95.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -55.88 -47.73 76.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.17 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 46.7 t -57.12 -41.88 79.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 46.8 mt -64.72 -32.77 74.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 -179.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 40.4 tp10 -63.01 -41.38 99.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 175.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 41.3 mmt180 -69.24 -36.7 77.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.232 174.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 tp -60.16 -39.22 85.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 175.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 69.2 ttp85 -56.41 -48.02 77.82 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 173.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.87 -38.3 85.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 179.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.0 mt -63.48 -45.01 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.185 174.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.3 tp -57.09 -45.49 83.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -55.54 -46.74 77.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.231 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -63.92 -39.64 94.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.255 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 68.4 tp -60.77 -47.54 85.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.267 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -67.91 -42.32 81.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.235 -176.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.61 -42.54 74.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.196 -177.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -138.1 79.89 30.8 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.175 -178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 82.4 Cg_exo -54.17 136.15 66.97 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 121.69 1.593 . . . . 0.0 111.203 -179.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 92.8 p -164.32 157.03 17.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.18 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -58.27 -36.37 73.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -60.86 -52.41 65.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.239 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -68.38 -34.24 75.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.188 -175.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 82.2 mt -63.25 -49.8 81.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 65.0 t -64.47 -44.25 96.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.222 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -62.76 -39.48 94.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.17 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.5 72.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.196 175.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.25 -45.05 99.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.221 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 62.4 ttp85 -49.45 -53.92 20.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 179.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.07 -40.35 93.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.179 -179.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.27 -42.98 97.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.27 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 68.3 t -59.29 -47.46 90.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.31 -39.22 93.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.234 178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -62.39 -41.27 98.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.232 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.11 -40.26 89.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.16 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.05 -42.95 95.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.222 177.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 97.9 mm-40 -66.79 -36.98 83.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.204 179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.01 -52.21 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.241 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 48.4 t -61.47 -42.57 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.238 -174.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -63.54 -39.84 95.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.215 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.18 -36.94 83.42 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.162 173.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 78.3 mt -74.8 -41.31 47.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.137 -174.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 67.8 ttp85 -56.32 -43.67 79.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.215 171.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.27 -42.23 86.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 177.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 87.0 mt -63.76 -44.32 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.191 178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 56.9 t -61.08 -42.99 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.217 177.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -63.14 -39.35 94.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.199 175.364 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -63.13 -38.23 90.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.211 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -61.81 -39.07 90.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.232 175.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -39.18 89.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.253 175.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -65.27 -39.15 92.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.233 176.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 84.8 mt -62.42 -41.81 93.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.232 176.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -57.75 -50.43 77.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.198 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.59 -35.76 80.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.169 -177.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 52.3 t-20 -60.4 -50.14 74.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.169 171.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 87.3 m-20 -57.79 -38.74 76.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.267 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 64.4 ttp85 -56.21 -53.48 56.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.251 175.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.43 -37.8 82.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.21 179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 71.9 mt -61.73 -47.83 91.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.175 176.215 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 98.1 mt -64.66 -42.2 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.201 -179.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -60.92 -39.81 90.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.39 -41.02 96.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.198 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.2 mt -68.44 -37.49 80.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.183 179.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -61.47 -40.8 95.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.154 173.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -65.01 -47.27 78.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 8.2 tp -70.0 -25.88 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 -176.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 100.4 53.75 1.05 Allowed Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 167.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 31.2 m -75.92 167.33 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.745 0.307 . . . . 0.0 111.212 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -52.39 127.87 23.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.258 -179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 53.1 tt0 -56.87 -37.04 70.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.2 -177.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -58.32 -51.98 67.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.153 -176.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.84 -40.89 90.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.199 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 64.5 tp -54.38 -47.56 72.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.66 -40.96 94.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 -179.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -61.21 -44.59 97.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 177.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 73.9 mtm -62.05 -42.2 98.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.23 -178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -62.31 -39.33 92.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.304 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.19 -48.93 76.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.251 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -60.14 -36.03 76.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.178 -178.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 63.1 tp -60.52 -50.67 72.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.68 -44.21 86.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.2 -177.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -60.98 -41.88 97.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.251 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 64.0 tp -65.79 -47.1 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.188 178.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -61.75 -42.86 99.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.219 -178.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -61.58 -34.79 76.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.203 179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 70.6 m -68.2 -16.05 63.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.254 -175.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 93.4 mt -61.84 -27.34 68.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.124 -176.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -62.29 -24.32 67.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.171 -175.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 95' ' ' ARG . . . . . 0.542 ' O ' ' C ' ' C' ' 96' ' ' GLY . 74.8 mtm180 -70.62 -25.03 62.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.154 -175.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . 0.542 ' C ' ' O ' ' C' ' 95' ' ' ARG . . . . . . . . 0 C--O 1.2 -1.984 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -171.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -136.49 18.3 3.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.781 0.324 . . . . 0.0 111.218 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 -77.03 162.01 27.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -174.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -52.48 -36.91 56.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.178 175.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.89 -33.75 84.67 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.171 -0.772 . . . . 0.0 111.171 174.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.83 -35.31 38.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 111.203 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.05 -40.68 96.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.217 175.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -64.94 -43.69 91.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.217 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -58.35 -47.72 82.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.153 174.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.9 m -58.45 -40.88 83.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.243 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.8 mt -63.87 -36.37 83.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.181 178.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -67.94 -42.6 80.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.225 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -70.11 -39.27 75.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.237 175.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.05 -44.74 96.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 175.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -57.95 -47.55 82.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.164 174.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.81 -45.53 70.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.22 178.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.39 -44.22 97.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.13 -48.03 74.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.169 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.08 -44.03 91.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.215 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.43 -38.51 91.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.195 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 60.5 tp -61.93 -49.91 74.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.264 177.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.07 -41.22 95.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.184 -176.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.32 -39.11 92.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.167 -179.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.34 84.68 7.74 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.258 -179.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -55.23 135.61 69.71 Favored 'Trans proline' 0 N--CA 1.458 -0.608 0 C-N-CA 121.657 1.571 . . . . 0.0 111.228 -178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.9 p -162.96 156.9 20.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.126 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.26 -38.7 77.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.174 177.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.28 -51.62 69.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 178.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.66 -33.32 74.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.187 -175.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.5 -49.14 83.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.129 177.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.3 t -64.61 -43.52 96.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.24 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.06 -39.71 95.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.257 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.63 -47.3 86.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.2 175.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.67 -47.07 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.227 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.3 -51.75 61.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.229 178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.65 80.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.256 -178.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 80.6 mt -65.24 -45.58 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.95 -45.85 91.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.172 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.74 -42.01 97.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.188 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -59.67 -48.01 83.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.83 -41.05 85.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.219 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.95 -42.05 93.2 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.158 178.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.3 -39.5 94.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.24 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.2 -47.44 92.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.215 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -70.59 -42.48 78.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 -175.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.92 -36.59 83.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.191 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.35 -49.33 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.185 -179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.7 -22.98 29.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.195 -173.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -46.34 -48.54 18.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.236 168.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.59 95.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.159 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.12 -47.01 95.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.265 -179.229 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.55 -45.5 95.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.243 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.18 -39.94 96.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.223 177.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.5 -41.11 98.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 177.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -59.34 -41.74 89.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.215 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.41 90.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.153 177.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.03 -36.73 80.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.213 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 83.6 mt -62.5 -42.48 95.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.205 177.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.24 -45.0 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.216 175.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.58 -38.86 92.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.168 177.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -58.93 -49.86 76.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.143 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.05 -37.73 77.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.206 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.22 -49.16 78.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.194 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.13 -36.0 74.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.175 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 88.3 mt -65.51 -51.74 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.234 -178.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.19 -25.19 23.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -173.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.41 -41.56 84.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.135 169.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.97 -36.31 79.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.207 175.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.49 -43.74 96.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.246 177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -58.57 -38.98 79.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.188 178.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.95 -27.4 65.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 pt -111.61 24.15 4.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.166 -173.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 16.13 58.45 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 158.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.68 137.32 24.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 111.232 176.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -47.88 119.17 2.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.168 -173.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -62.25 -32.8 73.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.195 -173.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.21 -52.78 63.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.242 -174.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 93.2 mt -59.64 -42.06 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.209 177.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 94.1 mt -65.45 -39.29 91.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.162 -177.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -63.39 -36.99 85.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.26 -40.24 93.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.2 176.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 70.1 mtm -70.31 -36.72 74.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.203 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -56.48 -46.88 80.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.179 179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.2 -49.99 73.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.21 176.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.34 -47.12 66.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.75 -40.87 92.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.221 -177.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.45 -40.44 97.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.231 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.81 -40.49 97.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.298 176.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 83.2 mt -65.94 -39.94 90.94 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.217 178.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.47 -40.76 79.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.8 -34.71 60.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 178.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 37.7 t -55.48 -42.13 73.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.28 -17.16 64.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.275 -175.214 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.93 -9.59 58.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.185 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -85.22 -14.78 45.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.229 176.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.97 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -175.255 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.582 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -136.59 18.34 3.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.747 0.308 . . . . 0.0 111.181 -178.444 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -77.1 161.96 27.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.221 -174.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -52.38 -37.0 55.28 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.8 -33.81 84.47 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 174.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.71 -35.42 39.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.771 0.319 . . . . 0.0 111.238 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 86.3 mt -62.01 -40.69 96.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.263 175.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -64.97 -43.71 91.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.222 178.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 89.2 t80 -58.23 -47.81 82.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.249 174.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 57.7 m -58.41 -40.98 83.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.185 179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 60.3 mt -63.85 -36.28 83.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -67.96 -42.68 80.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 -178.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -70.05 -39.29 75.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.274 175.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 40.2 tp -62.03 -44.64 96.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.24 175.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.02 -47.47 82.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.132 174.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -53.95 -45.48 71.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.224 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.29 -44.28 97.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.175 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 62.8 tp -55.15 -47.98 74.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.185 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.14 -43.99 92.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.207 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.45 -38.51 91.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.18 176.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.87 -50.0 73.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -65.07 -41.18 95.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.213 -176.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.3 -39.14 92.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.35 84.68 7.73 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.232 -179.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_exo -55.19 135.53 69.3 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.741 1.628 . . . . 0.0 111.195 -178.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 96.8 p -162.97 156.83 20.27 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.18 -38.72 77.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.221 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.2 -51.65 69.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.69 -33.3 74.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.222 -175.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.0 mt -63.48 -49.1 84.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.166 177.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 72.9 t -64.65 -43.5 96.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.254 -179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.12 -39.58 95.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.268 179.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.7 -47.27 86.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.249 175.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.68 -47.05 95.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.249 179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.29 -51.83 61.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.193 178.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.08 -37.71 80.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.199 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.26 -45.57 93.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.204 178.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.82 -45.91 91.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.228 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.8 -41.98 97.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.158 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -59.58 -48.06 83.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.245 177.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -58.78 -41.1 85.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.213 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.07 92.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.241 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.25 -39.58 94.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.255 179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -63.2 -47.32 92.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.269 -179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 76.4 t -70.71 -42.45 77.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 -175.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.95 -36.6 83.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.26 -49.35 19.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.251 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.71 -22.94 29.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.203 -173.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 76.2 ttt180 -46.31 -48.58 18.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 168.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.24 -39.6 95.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.167 -178.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 82.9 mt -62.14 -46.93 95.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.236 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 78.2 t -64.58 -45.56 95.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.13 -39.96 96.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.186 178.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -63.5 -41.14 98.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.207 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -59.32 -41.8 89.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.209 178.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.65 -41.36 90.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 177.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -68.05 -36.81 80.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 83.1 mt -62.48 -42.49 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 177.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.32 -44.92 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.188 175.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -63.68 -38.84 92.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.169 177.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.89 -49.84 76.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.197 175.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.11 -37.69 77.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.195 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.24 -49.18 78.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 176.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.09 -36.02 74.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.265 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 88.5 mt -65.45 -51.8 59.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.303 -178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 39.9 pt -72.11 -25.22 23.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.2 -173.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.43 -41.49 84.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.163 169.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.14 -36.13 78.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.239 175.116 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 72.9 mt -63.55 -43.69 96.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.24 177.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -58.53 -39.08 79.14 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.176 178.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.94 -27.38 65.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 -176.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 43.8 pt -111.63 24.14 4.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.175 -173.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.91 16.16 58.41 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 158.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 53.6 t -69.75 137.29 24.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 0.0 111.172 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -47.82 119.16 2.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 -173.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.38 -32.71 73.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 -173.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.24 -52.81 63.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -174.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 92.8 mt -59.71 -41.98 87.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.197 177.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 94.0 mt -65.46 -39.28 91.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -177.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -63.46 -37.05 85.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.134 -177.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.16 -40.28 93.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.236 176.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.1 mtm -70.23 -36.8 74.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.221 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.41 -46.9 79.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.17 -49.97 73.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.263 176.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.34 -47.14 66.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.239 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.75 -40.84 92.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.261 -177.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.41 -40.57 97.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.208 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.73 -40.62 97.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.19 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 83.4 mt -65.87 -39.97 91.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.203 178.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.5 -40.68 79.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 176.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.91 -34.57 59.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.253 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 37.4 t -55.51 -42.18 74.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.169 179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 91.6 mt -66.23 -17.23 64.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 -175.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -72.82 -9.67 58.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.198 -177.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -85.17 -14.78 45.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.242 176.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.987 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -175.2 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 79.8 p -136.55 18.31 3.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.788 0.328 . . . . 0.0 111.224 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -77.08 162.01 27.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.219 -174.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 7.1 mp -52.48 -36.9 56.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 175.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -60.93 -33.69 84.59 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.146 -0.782 . . . . 0.0 111.146 174.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 70.1 m-20 -79.86 -35.23 38.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.809 0.338 . . . . 0.0 111.263 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 86.5 mt -62.07 -40.72 96.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.216 175.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -64.83 -43.8 91.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.223 178.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -58.26 -47.78 82.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.203 174.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -58.41 -40.99 83.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.238 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 61.0 mt -63.8 -36.34 83.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.207 178.119 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -67.91 -42.67 80.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.236 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -70.1 -39.29 75.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.221 175.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 40.3 tp -62.01 -44.72 96.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.283 175.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -57.98 -47.43 83.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.186 174.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -53.89 -45.6 71.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 178.12 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.32 -44.2 97.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.14 178.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.15 -48.01 74.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.203 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -59.1 -43.97 91.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.243 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -63.44 -38.56 91.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.168 176.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 60.4 tp -61.88 -49.96 74.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.276 177.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.02 -41.21 95.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -176.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -65.25 -39.2 92.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.192 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -146.34 84.7 7.73 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.255 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_exo -55.21 135.59 69.61 Favored 'Trans proline' 0 N--CA 1.458 -0.587 0 C-N-CA 121.677 1.585 . . . . 0.0 111.247 -178.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.1 p -162.97 156.85 20.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.164 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.22 -38.66 77.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.202 177.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -59.23 -51.74 68.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 94.5 mm-40 -67.63 -33.29 74.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.241 -175.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 80.9 mt -63.44 -49.11 84.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.17 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 72.0 t -64.72 -43.42 96.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.191 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 62.5 mm-40 -63.17 -39.61 95.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.218 179.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.74 -47.18 86.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.201 175.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 84.1 mt -61.77 -47.02 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.227 179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -53.3 -51.76 61.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 178.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.16 -37.71 80.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 80.5 mt -65.18 -45.61 93.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.181 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -58.92 -45.86 91.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.177 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -63.75 -42.11 97.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.142 179.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -59.41 -48.15 82.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -58.79 -41.04 85.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.0 -42.03 93.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.145 178.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -63.27 -39.5 94.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.252 179.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.27 -47.4 92.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 77.5 t -70.62 -42.44 77.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -175.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 66.5 mm-40 -62.98 -36.56 83.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.169 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -75.32 -49.35 19.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.144 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 13.3 tt -61.68 -23.09 29.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.182 -173.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -46.2 -48.64 17.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.221 168.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.65 95.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.138 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 82.7 mt -62.18 -46.97 95.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 -179.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 78.7 t -64.53 -45.54 95.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.249 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.11 -40.0 96.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.168 177.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -63.57 -41.13 98.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 177.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -59.28 -41.75 89.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.221 178.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.73 -41.43 90.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.16 177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 99.4 mm-40 -67.99 -36.78 80.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.178 179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 83.8 mt -62.44 -42.5 95.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.203 177.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.3 -44.97 96.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 175.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -63.58 -38.86 92.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.18 177.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -58.91 -49.82 76.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 175.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 99.8 m-20 -59.09 -37.7 77.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.229 -179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 68.4 ttp85 -58.32 -49.17 78.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.085 176.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.18 -35.88 74.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.179 179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 88.1 mt -65.59 -51.74 59.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.231 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 40.0 pt -72.16 -25.21 23.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -173.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -67.36 -41.59 84.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 169.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.99 -36.22 78.9 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.244 175.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 72.4 mt -63.6 -43.71 96.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.178 177.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -58.45 -39.11 78.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.213 178.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.95 -27.26 65.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 -176.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 43.7 pt -111.69 24.19 4.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 -173.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 88.92 16.02 58.59 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 159.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.62 137.26 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.803 0.335 . . . . 0.0 111.219 176.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -47.8 119.14 2.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.195 -173.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -62.3 -32.83 73.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -173.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.9 mtmm -56.15 -52.8 63.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.214 -174.131 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 92.5 mt -59.81 -41.96 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 178.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 93.9 mt -65.44 -39.28 91.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -177.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 60.6 mm-40 -63.5 -36.97 85.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -177.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.24 -40.21 93.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.199 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 70.2 mtm -70.26 -36.79 74.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.241 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 93.8 mttt -56.35 -46.97 79.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.23 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -62.18 -49.96 73.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.236 176.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -52.36 -47.18 66.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.213 -178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 93.5 mt -65.68 -40.86 92.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.243 -177.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -63.43 -40.59 97.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.15 177.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.79 -40.48 97.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.248 176.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 83.3 mt -65.93 -39.95 90.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.176 178.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -57.47 -40.78 79.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.251 176.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 39.2 mmt180 -75.7 -34.77 60.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.233 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 38.1 t -55.46 -42.14 73.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.235 179.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 91.4 mt -66.31 -17.14 64.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.272 -175.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -72.86 -9.7 58.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.138 -177.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 88.7 mtm180 -85.16 -14.72 46.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 176.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.915 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -175.217 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -157.86 141.3 15.4 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.74 0.305 . . . . 0.0 111.263 177.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -70.07 144.54 52.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.249 -176.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 87.2 mt -57.94 -32.35 67.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.199 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.32 -28.66 69.69 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -74.05 -40.03 63.1 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.788 0.328 . . . . 0.0 111.215 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.99 -42.28 97.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.236 175.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' A' ' 12' ' ' GLU . 64.8 tttm -59.52 -49.57 77.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 177.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.22 -48.24 71.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.282 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -59.14 -42.38 90.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -178.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.69 -40.43 94.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.24 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' A' ' 8' ' ' LYS . 98.4 mt-10 -62.79 -41.49 99.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.199 178.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.21 -37.68 75.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.148 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.48 -47.12 87.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.142 178.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.21 -37.02 82.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.248 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.24 -49.93 74.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.208 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.19 -41.96 92.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.18 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 tp -53.94 -51.14 64.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.154 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.51 -40.09 81.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -178.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.77 -41.03 97.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.184 176.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.3 -42.8 92.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.209 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.82 -35.53 76.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.196 -176.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -80.17 -48.95 12.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.235 177.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.27 83.54 17.52 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.256 -174.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -56.53 143.21 88.89 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.703 1.602 . . . . 0.0 111.185 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 87.4 p -160.47 150.0 17.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.279 175.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.72 -39.28 80.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.208 178.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -58.31 -52.97 63.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.242 -179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.9 -29.97 64.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.282 -174.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.2 mt -62.03 -46.49 96.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.171 175.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.9 t -64.17 -40.86 90.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.227 176.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.26 -39.94 92.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.163 176.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.96 -48.18 82.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.251 174.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.5 -44.14 95.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 178.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -49.95 -52.48 33.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.245 175.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.67 -40.39 96.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.155 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 80.7 mt -64.57 -46.7 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.183 -177.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.2 t -60.16 -46.93 93.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -69.93 -34.92 74.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.206 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.13 -47.39 85.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.208 173.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.04 -41.58 88.19 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.82 94.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.179 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.75 -42.44 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.183 177.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.2 mt -62.07 -54.42 34.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.267 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 52.3 t -59.92 -46.9 93.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.17 -172.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -66.35 -34.83 78.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.187 -177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.29 -55.03 13.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.164 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 37.6 pt -67.42 -24.96 32.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.158 -171.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -57.54 -38.01 74.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.53 -34.67 71.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.193 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.95 -43.8 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.176 175.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 69.7 t -58.21 -46.23 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.192 -179.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.58 -42.26 98.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.193 178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -71.39 -31.13 66.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.198 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.481 HD22 ' HA ' ' A' ' 55' ' ' ASN . 7.6 m120 -59.72 -52.17 66.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 174.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.84 -37.2 73.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 178.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.16 -52.55 26.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.198 -176.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.25 -31.35 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.206 -175.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 40.4 t -66.03 -48.05 82.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.255 175.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -60.02 -35.44 75.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.229 177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -57.34 -29.32 63.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.222 178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.82 -26.81 68.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.197 -178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.55 -47.73 83.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.214 175.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.11 88.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.107 178.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.16 -46.53 90.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 89.9 mt -61.8 -45.93 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.218 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.84 -40.23 94.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.223 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.96 97.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.276 175.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.3 mt -67.3 -36.33 81.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.266 177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.84 -40.78 95.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.213 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.11 -46.99 84.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.241 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 7.5 tp -70.8 -25.98 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.271 -178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.04 55.59 1.12 Allowed Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 166.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.2 m -80.19 169.12 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 111.191 173.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -54.77 125.55 20.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 -176.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.81 -32.25 67.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.243 -176.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.11 -23.26 65.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.166 -175.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 45.6 mm -90.22 -39.14 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.165 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.0 mt -59.25 -41.02 87.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.252 179.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.2 -40.58 90.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.244 -179.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -71.08 -43.2 68.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.191 -176.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.2 -38.7 92.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.174 -177.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -63.96 -39.07 93.3 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.203 177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.39 -41.22 93.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.217 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.55 -38.9 90.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.133 177.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 58.8 tp -58.41 -51.46 69.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 176.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.15 -39.15 93.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 -177.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -70.25 -40.62 74.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.177 -176.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 41.4 mt -59.68 -43.62 93.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.191 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.68 -41.24 96.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.49 -43.99 72.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 -178.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.0 t -72.07 -55.35 7.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.258 -179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 84.1 mt -63.59 -36.73 84.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.166 -169.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -87.41 3.8 45.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.169 -173.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -104.42 -48.11 3.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.254 177.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.033 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 179.293 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -157.84 141.29 15.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.718 0.294 . . . . 0.0 111.261 177.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -70.1 144.52 52.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.198 -176.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 87.2 mt -57.95 -32.35 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.16 178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.37 -28.58 69.62 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.219 -0.753 . . . . 0.0 111.219 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -74.1 -40.09 62.95 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.79 0.329 . . . . 0.0 111.146 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 90.8 mt -63.99 -42.23 97.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.207 175.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.411 ' NZ ' ' OE2' ' B' ' 12' ' ' GLU . 64.8 tttm -59.54 -49.63 77.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.15 177.053 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -54.1 -48.28 70.87 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.303 178.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -59.27 -42.32 90.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -178.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.74 -40.33 94.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.276 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.411 ' OE2' ' NZ ' ' B' ' 8' ' ' LYS . 98.4 mt-10 -62.88 -41.44 99.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 178.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.26 -37.61 74.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.172 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.46 -47.14 87.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.159 178.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -67.2 -37.09 83.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -57.18 -49.95 74.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.22 -41.97 92.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 tp -53.94 -51.13 64.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.173 178.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.46 -40.15 81.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.191 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.83 -41.05 97.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.163 176.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 47.9 mt -65.29 -42.79 92.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.205 178.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -60.8 -35.58 76.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.172 -176.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -80.2 -48.89 12.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.244 177.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.26 83.5 17.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.22 -174.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -56.48 143.26 88.2 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.64 1.56 . . . . 0.0 111.208 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 87.3 p -160.53 150.03 17.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.301 175.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.8 -39.17 80.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.22 178.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -58.46 -52.88 63.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -71.91 -29.92 64.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.254 -174.113 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.11 -46.46 96.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.134 176.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 65.7 t -64.29 -40.77 90.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.202 176.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.28 -39.91 92.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.195 176.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.0 -48.21 82.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 174.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 90.9 mt -60.44 -44.12 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.298 178.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -49.95 -52.49 33.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.229 175.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.36 97.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 80.8 mt -64.56 -46.66 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.219 -177.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 55.7 t -60.16 -46.81 94.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -70.05 -34.95 73.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.245 -179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.02 -47.47 85.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.193 173.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -59.08 -41.53 88.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.192 176.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.31 -41.85 94.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.217 177.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.76 -42.4 99.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.237 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.4 ' O ' HG12 ' B' ' 48' ' ' ILE . 93.3 mt -62.05 -54.57 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.186 178.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 52.0 t -59.86 -46.93 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.147 -172.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -66.27 -34.94 79.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -177.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.11 -55.17 13.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 177.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.4 HG12 ' O ' ' B' ' 44' ' ' ILE . 37.6 pt -67.35 -24.98 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.217 -171.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -57.5 -38.02 73.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 174.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.63 71.24 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.283 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.98 -43.77 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.172 175.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 70.4 t -58.13 -46.33 88.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.198 -179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -63.62 -42.2 98.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.198 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.39 -31.19 67.0 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.17 -178.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . 0.442 ' HA ' HD22 ' B' ' 55' ' ' ASN . 7.6 m120 -59.61 -52.22 66.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.164 174.07 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.24 73.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.198 178.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.08 -52.58 27.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.229 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.2 -31.37 53.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -175.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 40.2 t -66.17 -47.94 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.256 175.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 -60.0 -35.48 75.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.21 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -57.31 -29.33 63.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 178.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.9 -26.77 68.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -178.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.57 -47.69 83.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.222 175.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.0 -39.09 88.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.178 178.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 97.7 mt -65.24 -46.5 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.189 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 90.0 mt -61.84 -45.9 97.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.159 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.93 -40.19 94.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.113 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.75 -43.93 97.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.267 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.38 -36.27 81.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.18 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.95 -40.79 95.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.161 175.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.0 -47.1 84.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.25 -178.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 7.6 tp -70.8 -25.95 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.238 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.01 55.6 1.12 Allowed Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 166.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 21.3 m -80.23 169.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.361 . . . . 0.0 111.133 173.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -54.76 125.56 20.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.198 -176.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.88 -32.22 67.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.176 -176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.19 -23.13 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.224 -175.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 45.3 mm -90.21 -39.21 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.212 178.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 84.4 mt -59.12 -41.14 87.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.28 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -60.12 -40.61 90.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.244 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -71.11 -43.23 68.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.222 -176.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.15 -38.69 92.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.217 -177.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.92 -39.14 93.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.159 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.43 -41.12 93.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 176.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.6 -38.8 90.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 177.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 58.6 tp -58.46 -51.44 69.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.196 176.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.11 -39.21 94.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.201 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -70.15 -40.7 74.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.2 -176.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 41.4 mt -59.69 -43.54 94.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.196 175.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.78 -41.15 96.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.255 175.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.52 -44.0 72.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.248 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 42.9 t -72.07 -55.35 7.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.273 -179.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 84.2 mt -63.55 -36.74 84.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.202 -169.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -87.45 3.83 45.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.197 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -104.45 -48.02 3.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.295 177.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.056 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.326 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 46.7 t -157.92 141.26 15.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.729 0.299 . . . . 0.0 111.28 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -70.08 144.54 52.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.239 -176.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.3 mt -57.94 -32.38 67.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.36 -28.61 69.66 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -74.08 -39.98 63.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.752 0.31 . . . . 0.0 111.243 -179.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 90.9 mt -64.05 -42.25 97.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.248 175.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . 0.427 ' NZ ' ' OE2' ' C' ' 12' ' ' GLU . 64.7 tttm -59.51 -49.56 77.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.195 177.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -54.3 -48.19 71.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.248 178.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.0 m -59.26 -42.27 90.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.197 -178.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 82.2 mt -61.7 -40.36 94.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.304 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' GLU . . . . . 0.427 ' OE2' ' NZ ' ' C' ' 8' ' ' LYS . 98.4 mt-10 -62.93 -41.44 99.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.162 178.478 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -70.24 -37.65 75.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.161 178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 33.8 mt -60.41 -47.15 87.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.172 178.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 81.9 mtt180 -67.17 -37.09 83.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.205 179.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.2 -49.99 74.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 96.7 mt -65.21 -41.9 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.218 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 40.9 tp -53.93 -51.14 64.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.224 178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.54 -40.05 81.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.275 -178.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 92.9 mtt-85 -61.73 -41.06 97.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 176.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 47.5 mt -65.34 -42.76 92.53 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -60.92 -35.51 76.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.136 -176.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -80.13 -48.87 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.318 177.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -139.3 83.53 17.47 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.232 -174.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -56.53 143.29 88.58 Favored 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 121.623 1.549 . . . . 0.0 111.273 179.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 87.5 p -160.51 150.05 17.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.268 175.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.79 -39.18 80.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.243 178.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -58.44 -52.88 63.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.222 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -71.94 -29.92 64.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.274 -174.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 71.3 mt -62.09 -46.52 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 176.011 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 65.5 t -64.22 -40.78 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.242 176.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -61.21 -39.95 92.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.176 176.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.08 -48.07 83.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.229 174.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 91.0 mt -60.51 -44.14 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -49.97 -52.53 32.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.194 175.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.66 -40.41 96.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.137 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 80.1 mt -64.6 -46.7 91.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.122 -177.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.16 -46.85 94.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.167 -177.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -70.03 -34.91 73.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.202 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -59.07 -47.4 85.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.209 173.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -59.1 -41.46 88.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.17 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.82 94.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.186 177.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -62.8 -42.39 99.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.233 176.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.403 ' O ' HG12 ' C' ' 48' ' ' ILE . 93.2 mt -62.06 -54.59 32.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.131 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 52.6 t -59.88 -46.86 93.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.203 -172.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 61.7 mm-40 -66.31 -34.86 78.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 -177.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.26 -55.1 13.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.149 177.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.403 HG12 ' O ' ' C' ' 44' ' ' ILE . 37.6 pt -67.34 -25.02 32.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.183 -171.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -57.56 -37.93 73.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 174.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.55 -34.63 71.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.236 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.94 -43.79 96.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.218 175.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 70.1 t -58.2 -46.29 88.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.191 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -63.54 -42.23 98.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.205 178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -71.41 -31.17 66.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.173 -178.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . 0.472 HD22 ' HA ' ' C' ' 55' ' ' ASN . 7.6 m120 -59.63 -52.22 66.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.226 174.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -57.83 -37.16 73.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 178.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 65.9 tt0 -69.13 -52.59 26.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.224 -177.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 16.5 tt -65.24 -31.35 53.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.175 -175.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 40.0 t -66.2 -47.95 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.187 175.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 tp10 -59.93 -35.56 75.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.187 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -57.24 -29.41 63.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.223 178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.82 -26.74 68.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.207 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.6 -47.82 83.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.162 175.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -39.05 87.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.281 178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.25 -46.54 90.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.76 -45.97 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.19 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.84 -40.16 94.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.203 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.82 -43.92 97.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.202 175.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -67.33 -36.3 81.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.192 177.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -64.89 -40.82 95.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.104 175.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -63.06 -47.1 84.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.234 -178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 7.5 tp -70.66 -26.06 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.262 -178.28 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 98.11 55.62 1.11 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 166.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 21.1 m -80.22 169.13 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.88 0.371 . . . . 0.0 111.142 173.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -54.74 125.6 20.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 -176.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -57.93 -32.18 67.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.205 -176.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.5 mtmm -61.1 -23.28 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.188 -175.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 45.4 mm -90.18 -39.2 11.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.206 178.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 84.2 mt -59.26 -41.01 87.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.192 179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.25 -40.51 90.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.219 -179.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -71.17 -43.12 68.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.183 -176.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 74.9 mtm -63.28 -38.63 91.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 -177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -63.95 -39.15 93.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.188 177.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.41 -41.13 93.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -65.63 -38.85 90.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.164 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 58.5 tp -58.42 -51.51 69.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.133 176.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -63.14 -39.17 93.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 -177.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -70.31 -40.51 74.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.203 -176.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 41.2 mt -59.79 -43.52 94.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.158 175.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -64.74 -41.21 96.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.231 175.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 72.5 ttp85 -54.48 -44.06 72.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.229 -178.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 42.7 t -71.98 -55.42 7.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.259 -179.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 84.3 mt -63.47 -36.76 84.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.237 -169.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -87.46 3.86 45.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.164 -173.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 80.5 ttt180 -104.44 -48.11 3.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.219 177.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.199 -2.086 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.347 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.4 p -66.03 -14.29 61.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 111.169 -178.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.3 p-80 -64.11 -9.42 16.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.226 -178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp -51.99 -33.05 36.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.225 174.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.74 -32.08 80.38 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.51 -30.62 26.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.864 0.364 . . . . 0.0 111.126 -178.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.2 tp -62.2 -46.37 89.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.223 172.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -54.05 -51.78 62.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.269 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -54.67 -46.97 74.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.173 176.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 69.6 m -56.62 -40.69 75.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.257 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 mt -69.44 -33.52 73.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.261 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.19 -40.19 95.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.274 175.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.04 -37.57 75.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 173.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.22 -38.0 82.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.184 176.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -60.09 -44.34 94.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 175.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.51 -38.39 84.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.227 178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.91 -46.29 92.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.246 174.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.19 -47.28 81.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.16 -41.65 88.86 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 -177.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.28 -40.66 96.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.202 174.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 64.6 tp -60.15 -48.09 83.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.12 -43.1 88.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.247 -176.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.52 -39.29 88.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.67 85.6 7.1 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.2 -179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.29 136.54 73.97 Favored 'Trans proline' 0 N--CA 1.458 -0.59 0 C-N-CA 121.795 1.663 . . . . 0.0 111.147 -177.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 95.4 p -161.99 156.18 21.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.26 179.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.56 -38.8 78.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.75 -51.1 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.249 -179.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.11 -32.72 72.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.195 -175.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.15 -49.06 84.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.156 177.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.9 t -64.37 -43.46 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.136 -178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.13 -39.13 93.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.17 -49.76 74.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.186 175.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.03 -45.92 97.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.189 -178.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.03 -53.7 31.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.268 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.29 -39.51 90.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.277 -178.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 78.0 mt -62.5 -44.53 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.0 t -59.46 -46.19 93.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.243 177.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.35 -38.96 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.189 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.57 -38.1 88.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.232 -179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.15 -38.89 84.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.294 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.77 95.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.124 175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.4 -38.37 90.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.158 178.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 81.8 mt -62.78 -45.26 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.255 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 44.3 t -59.59 -42.65 88.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.92 -39.02 93.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.21 178.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.96 -41.37 99.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.262 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.5 mt -64.89 -46.99 90.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.29 -43.01 64.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.199 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.46 -44.48 80.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.198 178.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.501 HG21 HG21 ' B' ' 51' ' ' ILE . 29.5 mt -67.17 -44.44 87.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.22 178.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 51.4 t -57.39 -45.56 85.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.199 -177.176 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 45.2 tp10 -68.97 -43.55 74.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 27.3 t30 -54.78 -42.93 72.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.197 178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -58.96 -44.65 91.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.211 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.8 89.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.158 178.147 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.02 -37.41 81.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.229 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.7 mt -61.76 -42.41 94.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.256 176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 42.8 t -57.55 -45.3 86.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.18 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -65.98 -36.42 83.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.21 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.89 -43.5 98.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 174.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -60.22 -39.93 88.37 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.185 177.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -58.36 -48.54 80.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.53 -38.98 82.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.204 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.7 mt -64.01 -46.65 93.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.259 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.29 -42.6 94.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.236 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.47 -39.75 92.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.213 178.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.57 -42.08 98.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 174.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -64.93 -37.53 87.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.228 177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.21 -42.22 96.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.144 175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.43 -37.15 77.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.158 177.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.47 -44.58 90.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.259 176.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.94 40.13 0.92 Allowed Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 52.3 t -63.58 142.85 16.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.819 0.342 . . . . 0.0 111.161 171.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -37.86 131.9 0.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.211 178.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -56.55 -44.77 81.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.188 -175.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.428 ' NZ ' ' OE2' ' A' ' 81' ' ' GLU . 66.0 tttm -58.72 -47.1 85.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 -175.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 87.1 mt -59.02 -44.18 90.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.254 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.0 -44.02 97.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.242 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.41 -41.52 98.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.162 -178.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.428 ' OE2' ' NZ ' ' A' ' 77' ' ' LYS . 97.1 mt-10 -61.37 -42.03 98.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.216 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.37 -40.3 89.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.129 179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.24 -44.74 82.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.229 -179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.71 -43.05 94.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.143 -178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.1 mt-30 -65.93 -41.0 91.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.229 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.8 tp -68.49 -44.42 74.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.236 -176.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.91 -39.77 93.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.225 179.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.56 -39.29 84.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.13 177.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.17 -44.49 97.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.182 175.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.09 -47.35 75.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.282 177.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.23 -36.9 81.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.305 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 56.9 p -72.1 -11.82 60.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.221 -173.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 82.3 mt -61.19 -25.25 66.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.209 -177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -79.87 -16.81 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.189 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -117.48 -64.03 1.36 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.197 -172.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.982 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.745 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.564 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 86.6 p -66.1 -14.23 61.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.77 0.319 . . . . 0.0 111.136 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -64.1 -9.4 16.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.242 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 28.7 tp -52.0 -33.03 36.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.235 174.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.82 -32.05 80.44 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.268 -0.733 . . . . 0.0 111.268 178.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.39 -30.71 27.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.827 0.346 . . . . 0.0 111.159 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 34.9 tp -62.13 -46.31 89.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.296 172.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -54.18 -51.63 63.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.252 173.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -54.86 -46.85 74.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.212 176.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 69.4 m -56.64 -40.69 75.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.196 -179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.7 mt -69.47 -33.49 72.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -178.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.25 -40.19 95.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.18 175.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.04 -37.52 75.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.196 173.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -60.2 -37.98 81.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.213 176.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -59.98 -44.54 94.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.174 175.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.42 -38.37 83.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.25 178.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.0 -46.22 92.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.222 174.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.26 -47.24 81.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -59.1 -41.72 88.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.155 -177.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.3 -40.59 96.26 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.187 174.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 64.9 tp -60.24 -48.06 83.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.203 179.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.14 -43.11 88.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.23 -176.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.5 -39.35 88.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.198 -178.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.65 85.64 7.1 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.238 -179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 82.6 Cg_exo -55.24 136.46 73.51 Favored 'Trans proline' 0 N--CA 1.458 -0.563 0 C-N-CA 121.803 1.668 . . . . 0.0 111.106 -177.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.6 p -161.93 156.13 22.01 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.245 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.45 -38.75 78.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.255 178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.83 -51.08 71.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.227 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -69.2 -32.61 71.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.134 -175.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 82.0 mt -63.17 -49.06 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.187 177.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 71.0 t -64.31 -43.49 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.188 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 66.2 mm-40 -63.22 -39.09 93.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.15 -49.74 74.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.266 175.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.03 -45.78 97.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.293 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.16 -53.71 32.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.208 179.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.17 -39.63 90.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.224 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.56 -44.38 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.295 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.6 t -59.52 -46.22 93.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.194 177.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.34 -38.96 93.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.173 177.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.52 -38.25 89.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -60.02 -39.02 84.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.283 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.5 -41.78 95.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.157 175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.42 -38.36 90.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.166 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.87 -45.14 99.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.241 -179.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 44.0 t -59.59 -42.66 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.189 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.97 -39.03 93.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.177 178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.95 -41.31 99.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.251 175.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.99 -46.91 90.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.208 176.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.37 -43.04 64.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.153 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.34 -44.51 80.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.21 178.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.501 HG21 HG21 ' A' ' 51' ' ' ILE . 29.5 mt -67.21 -44.41 87.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.193 178.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 51.2 t -57.38 -45.65 85.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.227 -177.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -68.82 -43.59 75.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.194 177.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -54.88 -42.79 72.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 178.142 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -58.97 -44.81 91.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.242 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.33 -39.91 88.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.24 178.056 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 87.5 mm-40 -68.0 -37.36 81.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 -179.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 85.9 mt -61.87 -42.34 94.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.53 -45.33 86.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.19 177.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -65.98 -36.39 83.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.261 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -62.88 -43.39 98.92 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.236 174.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.24 -39.92 88.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 177.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -58.46 -48.51 80.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.154 176.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.99 82.3 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.254 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.98 -46.74 93.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.218 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 98.2 mt -61.27 -42.49 93.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.323 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -61.55 -39.8 92.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.248 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.4 -42.06 98.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.208 173.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.6 mt -65.01 -37.48 87.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.194 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.22 -42.29 96.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.168 175.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.35 -37.21 77.3 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.109 177.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 90.2 mt -66.47 -44.6 90.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.16 176.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.92 40.11 0.92 Allowed Glycine 0 CA--C 1.522 0.516 0 N-CA-C 111.226 -0.749 . . . . 0.0 111.226 177.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 52.6 t -63.55 142.88 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.846 0.355 . . . . 0.0 111.17 171.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -37.9 131.89 1.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.238 178.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 54.0 tt0 -56.43 -44.88 80.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.192 -175.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.416 ' NZ ' ' OE2' ' B' ' 81' ' ' GLU . 66.0 tttm -58.64 -47.16 85.34 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.182 -175.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.0 -44.24 90.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.182 178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 77.0 mt -62.02 -43.93 97.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.287 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -62.33 -41.64 98.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.223 -178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . 0.416 ' OE2' ' NZ ' ' B' ' 77' ' ' LYS . 97.2 mt-10 -61.35 -42.03 98.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.286 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.29 -40.29 89.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.194 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.22 -44.74 82.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.242 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.79 -42.93 94.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.201 -178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -66.01 -40.89 91.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.205 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 45.9 tp -68.58 -44.43 74.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.185 -176.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.83 -39.85 93.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.248 179.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -67.58 -39.2 84.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.152 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 51.3 tp -61.21 -44.54 97.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.212 175.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -55.1 -47.29 75.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.19 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.3 -36.91 81.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.256 179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 57.1 p -72.18 -11.72 60.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -172.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.34 -25.18 66.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -177.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -79.79 -16.87 54.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.218 -178.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -117.47 -63.93 1.37 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.248 -172.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.019 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -172.766 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.562 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 86.5 p -66.17 -14.15 61.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.728 0.299 . . . . 0.0 111.151 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -64.05 -9.5 16.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.245 -178.531 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 28.6 tp -51.92 -33.04 35.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.279 174.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -61.88 -31.97 80.26 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 66.1 m-20 -83.5 -30.58 27.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 0.0 111.161 -178.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 34.8 tp -62.28 -46.29 89.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.232 172.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 62.7 tttm -54.19 -51.65 63.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.227 173.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -54.71 -46.94 74.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.193 176.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 69.5 m -56.64 -40.64 75.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.22 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 59.8 mt -69.58 -33.42 72.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 -178.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.2 -40.26 95.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 175.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -70.03 -37.51 75.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.159 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 35.7 tp -60.2 -38.0 81.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.261 176.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -60.03 -44.46 94.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.15 175.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.46 -38.44 84.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.193 178.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.93 -46.18 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.244 174.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 60.1 tp -57.24 -47.3 81.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.137 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.08 -41.64 88.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 -177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.6 mtm-85 -64.34 -40.57 96.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.199 174.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 65.0 tp -60.25 -48.05 83.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.194 179.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -66.1 -43.18 88.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.236 -176.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -66.53 -39.24 88.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.209 -178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -146.66 85.66 7.08 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.258 -179.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -55.34 136.49 73.83 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.747 1.632 . . . . 0.0 111.21 -177.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 95.3 p -161.93 156.14 22.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.273 179.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.46 -38.8 78.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.259 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.68 -51.2 70.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.259 -179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -69.08 -32.7 72.32 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.207 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 82.5 mt -63.1 -49.09 84.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.176 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 71.5 t -64.3 -43.51 97.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.189 -178.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -63.12 -39.14 93.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.138 179.106 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.2 -49.7 74.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.294 175.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 90.1 mt -63.05 -45.87 97.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 69.3 ttp85 -51.15 -53.6 33.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.228 179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -39.58 91.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 77.8 mt -62.53 -44.45 99.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.245 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 75.3 t -59.59 -46.09 93.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.281 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -63.33 -39.02 93.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.171 177.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -65.53 -38.15 88.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -60.08 -38.95 84.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.264 178.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.48 -41.85 95.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 175.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 73.8 mt-30 -64.35 -38.44 91.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.198 178.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.83 -45.19 99.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.227 -179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 44.2 t -59.56 -42.62 88.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.239 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -63.95 -39.0 93.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.213 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.41 99.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.228 175.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.88 -46.99 90.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.192 176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 69.4 ttp85 -52.35 -42.98 64.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -56.53 -44.38 80.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.18 178.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.498 HG21 HG21 ' B' ' 51' ' ' ILE . 29.3 mt -67.21 -44.48 87.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.232 178.326 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 51.3 t -57.36 -45.61 85.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.212 -177.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -68.81 -43.61 75.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.26 177.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 27.5 t30 -54.82 -42.89 72.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 178.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -58.96 -44.78 91.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.138 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.36 -39.9 88.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 178.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 87.6 mm-40 -67.96 -37.41 81.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.268 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -61.88 -42.32 94.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.229 176.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 42.8 t -57.49 -45.37 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.198 177.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -65.96 -36.45 83.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -62.93 -43.35 99.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.218 174.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -60.3 -39.9 88.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.189 177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -58.42 -48.53 80.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.173 176.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.53 -39.03 82.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 85.4 mt -63.95 -46.64 93.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.22 177.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 98.0 mt -61.32 -42.57 94.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.237 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -61.59 -39.64 91.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.201 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.65 -42.01 98.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 174.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.9 mt -64.96 -37.51 87.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.269 177.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -64.15 -42.23 96.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.242 175.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.41 -37.07 77.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.235 177.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 90.1 mt -66.55 -44.63 90.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.166 176.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.92 40.19 0.92 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 177.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 52.2 t -63.68 142.91 16.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.376 . . . . 0.0 111.073 171.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -37.89 131.9 1.0 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.203 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 54.1 tt0 -56.48 -44.84 81.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.196 -175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' LYS . . . . . 0.437 ' NZ ' ' OE2' ' C' ' 81' ' ' GLU . 66.0 tttm -58.67 -47.07 85.73 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.249 -175.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 87.0 mt -59.02 -44.26 90.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.204 178.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 77.3 mt -61.97 -43.94 97.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.297 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -62.37 -41.61 98.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.136 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . 0.437 ' OE2' ' NZ ' ' C' ' 77' ' ' LYS . 97.1 mt-10 -61.43 -41.95 97.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.183 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 73.7 mtm -66.46 -40.25 89.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -66.23 -44.74 82.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.201 -179.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -64.79 -42.94 94.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.141 -178.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.94 -41.0 91.87 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.189 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 46.2 tp -68.56 -44.36 74.61 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.194 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -61.96 -39.79 93.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.197 179.095 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.52 -39.27 85.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.186 177.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 51.0 tp -61.22 -44.48 97.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.246 175.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 83.7 tttt -55.14 -47.27 75.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.216 177.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 93.1 mtm-85 -61.32 -36.91 81.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.264 179.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 56.9 p -72.13 -11.74 60.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.233 -173.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 81.9 mt -61.27 -25.23 66.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 -177.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -79.86 -16.78 54.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.23 -178.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 42.2 mmt180 -117.5 -63.98 1.36 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.201 -172.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.992 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.715 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' N ' ' OXT' ' C' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.7 p -62.83 -22.14 66.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.83 0.347 . . . . 0.0 111.199 -177.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -57.19 -20.52 27.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.155 176.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.2 -32.04 34.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.225 178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.88 -56.47 18.4 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -66.74 -37.22 84.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.76 0.314 . . . . 0.0 111.139 -179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.68 -49.36 77.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.261 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.84 -44.28 86.39 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.226 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -56.05 -49.59 73.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.3 m -60.41 -36.66 78.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.573 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.5 tm? -63.15 -46.88 85.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.223 -179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -36.98 85.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.192 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.69 -38.39 83.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.211 175.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 40.5 tp -60.22 -43.58 95.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.234 174.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.58 -46.34 80.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.204 174.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -55.15 -46.18 75.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.243 178.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.51 -43.11 98.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 -179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 tp -55.12 -49.54 71.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 176.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.98 -40.38 88.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.162 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.31 -39.86 93.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.201 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.42 -50.31 74.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.189 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.01 -40.33 96.11 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.177 -175.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.46 -41.54 84.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.226 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.46 79.51 35.54 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.22 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -54.94 135.08 66.89 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 121.69 1.593 . . . . 0.0 111.159 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 94.9 p -165.58 156.97 14.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.66 -38.21 77.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.249 176.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.66 -51.55 69.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.137 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -65.5 -33.56 76.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.18 -176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.28 -49.49 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.198 177.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.2 t -64.94 -43.07 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.09 -38.61 91.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.177 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.25 -46.95 88.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.211 174.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.35 -46.48 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 178.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.93 -53.52 48.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.208 176.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.84 83.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.16 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 73.9 mt -63.96 -46.04 95.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.249 178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.28 -43.81 98.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.174 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -61.96 -40.68 96.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.169 175.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -58.99 -50.4 74.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.211 174.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -58.99 -43.79 91.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.66 -41.7 86.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.218 -179.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 68.0 mt-30 -67.7 -37.43 82.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.212 178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.51 -46.36 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.231 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.83 -41.66 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.286 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.9 tp10 -62.06 -43.56 98.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 175.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.9 -36.98 80.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.224 175.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 71.5 mt -66.26 -40.79 87.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.244 -178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.63 -51.94 34.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.27 171.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.34 -41.43 93.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.203 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 91.7 mt -64.43 -45.69 95.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.213 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.93 -44.08 99.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.177 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.84 -40.74 96.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.195 176.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -61.56 -43.57 98.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 176.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -59.65 -43.35 93.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.231 178.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.55 -41.88 95.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 177.153 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -65.03 -40.0 94.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.27 178.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.91 -41.69 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.184 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.0 t -57.61 -47.67 84.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 175.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.77 -36.09 81.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.163 -179.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.36 -48.44 79.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.145 175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -60.53 -40.43 91.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.218 179.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.9 -51.78 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 176.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.56 -38.04 80.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -64.89 -46.76 90.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.158 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.3 mt -62.86 -44.54 99.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.268 -179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.78 -37.03 85.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.239 176.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.47 -41.92 95.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.181 175.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.33 -39.13 93.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.159 177.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.28 -42.38 98.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 174.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.12 -38.33 82.7 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 178.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.89 -42.2 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.262 176.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.75 33.02 1.34 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.224 -0.75 . . . . 0.0 111.224 -177.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.88 143.99 11.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.274 178.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.404 ' OD2' ' NZ ' ' A' ' 77' ' ' LYS . 19.0 t0 -43.11 129.86 4.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.235 176.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.49 -28.58 70.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.195 -173.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.404 ' NZ ' ' OD2' ' A' ' 75' ' ' ASP . 38.4 mtmm -61.92 -56.98 13.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.262 -176.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.74 -30.84 51.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 178.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.6 -48.48 80.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.174 178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.4 tt0 -57.03 -47.93 79.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.188 176.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -56.24 -48.9 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.202 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 74.4 mtm -62.13 -43.34 99.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.231 -175.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.04 -42.37 97.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.171 -177.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.12 -41.52 81.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.266 -178.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.88 -39.01 87.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.185 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.78 -47.22 78.92 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.136 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.13 -35.32 75.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 177.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -66.58 -38.51 87.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.194 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 55.4 tp -60.12 -49.16 78.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 171.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -56.0 -48.88 75.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.226 178.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.78 -43.88 94.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.183 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 74.0 m -60.18 -39.67 87.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.272 -178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.11 -49.16 71.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.217 177.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.55 -33.45 66.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -171.341 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.63 5.24 48.8 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.27 -170.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.442 ' OXT' ' N ' ' B' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.199 -2.059 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.442 ' N ' ' OXT' ' A' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.524 0.629 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.6 p -62.77 -22.17 66.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.34 . . . . 0.0 111.175 -177.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 61.0 t60 -57.16 -20.51 26.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.194 176.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.8 tp -52.13 -32.11 34.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.218 178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.85 -56.54 17.96 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.62 -37.27 84.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.772 0.32 . . . . 0.0 111.172 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 61.1 tp -60.67 -49.45 77.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 -179.132 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.82 -44.28 86.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.243 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -55.97 -49.59 73.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.237 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.5 m -60.38 -36.67 78.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.227 178.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.571 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.5 tm? -63.22 -46.83 85.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.209 -179.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -63.1 -37.04 85.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.188 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.55 -38.42 84.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.182 175.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 40.1 tp -60.33 -43.56 96.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.208 174.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.56 -46.35 80.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.251 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -55.1 -46.18 75.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.6 mt -62.61 -43.07 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 tp -55.2 -49.49 71.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.213 176.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.02 -40.34 88.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.156 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -65.35 -39.85 92.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 175.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.37 -50.2 74.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 177.557 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.19 -40.23 95.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.157 -175.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.53 -41.46 84.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.249 179.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.4 m-80 -137.53 79.52 35.12 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.229 -178.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -54.92 135.1 66.92 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 121.676 1.584 . . . . 0.0 111.124 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 94.9 p -165.62 157.01 14.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.69 -38.24 77.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.242 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.66 -51.51 69.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.211 178.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -65.46 -33.57 76.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 -176.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 78.5 mt -63.32 -49.49 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.146 177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.4 t -64.96 -43.1 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.213 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.14 -38.46 91.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.258 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.26 -46.99 88.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.226 174.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 84.5 mt -60.38 -46.4 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.99 -53.57 48.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.156 176.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.69 -37.77 82.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -63.98 -46.15 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 178.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.07 -43.83 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.277 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -62.04 -40.69 96.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.187 175.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.89 -50.44 74.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.239 174.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -58.96 -43.84 91.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.125 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.7 -41.58 86.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.21 -179.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -67.8 -37.45 82.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.126 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 89.7 mt -62.44 -46.5 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.178 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.79 -41.63 86.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.247 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -62.05 -43.56 98.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.94 -36.92 80.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.221 175.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.29 -40.8 87.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.228 -178.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.65 -51.91 34.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.276 172.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.37 -41.5 93.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.22 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.28 -45.76 95.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.246 -179.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.9 -44.14 99.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.84 -40.75 96.39 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.19 176.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.45 -43.55 98.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.229 176.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -59.8 -43.33 94.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.176 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.74 95.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.21 177.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -65.15 -39.93 93.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.229 178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.94 -41.66 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 45.8 t -57.59 -47.7 84.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.159 175.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.75 -36.14 81.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.27 -48.46 79.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.195 175.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.56 -40.39 91.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.172 179.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.99 -51.75 68.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.198 176.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.48 -38.09 79.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.255 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 80.9 mt -64.85 -46.77 90.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.108 177.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -62.96 -44.46 99.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.213 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -62.85 -37.07 85.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.51 -41.8 95.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.247 175.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 79.5 mt -63.33 -39.22 93.94 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.117 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 85.2 tt0 -61.28 -42.37 98.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.213 174.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.27 82.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.06 -42.07 90.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.237 176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.69 33.06 1.34 Allowed Glycine 0 CA--C 1.523 0.538 0 N-CA-C 111.171 -0.771 . . . . 0.0 111.171 -177.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 7.1 p -57.9 144.0 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.762 0.315 . . . . 0.0 111.262 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . 0.409 ' OD2' ' NZ ' ' B' ' 77' ' ' LYS . 19.0 t0 -43.08 129.91 4.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 176.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.53 -28.66 70.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 -173.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.409 ' NZ ' ' OD2' ' B' ' 75' ' ' ASP . 38.4 mtmm -61.89 -57.0 13.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.283 -176.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.59 -30.94 51.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -58.62 -48.43 81.03 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -57.01 -47.94 79.67 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.244 176.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -56.25 -48.85 75.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.267 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 74.4 mtm -62.14 -43.41 98.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.199 -175.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.01 -42.39 97.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 -177.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.15 -41.52 81.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 -178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.82 -39.09 87.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 179.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.73 -47.18 79.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.147 179.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.19 -35.24 74.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 177.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -66.59 -38.59 87.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.189 178.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.01 -49.16 78.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.193 171.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 64.7 tttp -56.06 -48.89 75.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.191 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.77 -43.88 94.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 74.2 m -60.22 -39.64 87.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 -178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 60.4 tp -65.16 -49.2 70.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.201 177.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -72.46 -33.46 67.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.249 -171.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.71 5.36 48.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.21 -170.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . 0.437 ' OXT' ' N ' ' C' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.199 -2.049 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 177.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . 0.437 ' N ' ' OXT' ' B' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.577 0 N-CA-C 111.162 -0.775 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -62.9 -22.01 66.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 0.0 111.145 -177.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 60.9 t60 -57.2 -20.48 27.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.201 176.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 46.7 tp -52.24 -32.01 34.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.248 178.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -52.88 -56.52 18.14 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.244 -0.742 . . . . 0.0 111.244 -178.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -66.7 -37.13 84.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.74 -49.43 77.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -57.86 -44.23 86.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -56.13 -49.49 73.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.171 176.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -60.45 -36.71 78.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.565 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.5 tm? -63.07 -46.87 85.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.264 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -63.14 -36.98 85.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.184 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 39.4 mmt180 -67.61 -38.41 83.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.228 175.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 40.2 tp -60.26 -43.58 96.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 174.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 65.6 ttp85 -56.6 -46.32 80.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.181 174.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 79.5 tt0 -55.17 -46.22 75.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 178.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.5 mt -62.5 -43.12 98.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.4 tp -55.2 -49.44 71.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.249 176.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.06 -40.37 89.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.102 -179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.3 -39.92 93.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.22 175.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 53.3 tp -60.33 -50.3 74.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.03 -40.28 95.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.177 -175.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.54 -41.49 84.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 179.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.48 79.51 35.4 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.18 -178.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_exo -54.94 135.06 66.83 Favored 'Trans proline' 0 N--CA 1.457 -0.627 0 C-N-CA 121.673 1.582 . . . . 0.0 111.176 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 94.4 p -165.54 157.08 14.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.169 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.8 -38.2 78.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.166 176.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -59.72 -51.49 69.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.111 178.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -65.49 -33.57 76.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.172 -176.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.25 -49.51 82.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.191 177.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.93 -43.13 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.169 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -64.12 -38.51 91.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.214 179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.2 -47.06 87.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 174.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 84.9 mt -60.29 -46.46 94.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.176 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 66.3 ttp85 -52.96 -53.5 48.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.235 176.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.79 -37.74 82.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 73.8 mt -64.04 -46.1 94.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.172 178.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.14 -43.79 98.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.279 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.02 -40.72 96.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 175.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -58.98 -50.41 74.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.174 174.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -59.01 -43.74 91.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.77 -41.6 86.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 67.9 mt-30 -67.79 -37.48 82.08 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.13 178.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 89.5 mt -62.47 -46.36 96.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.216 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -59.91 -41.54 86.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.281 179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -62.03 -43.6 98.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.193 175.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.87 80.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.25 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 71.7 mt -66.27 -40.84 87.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 67.0 ttp85 -49.64 -51.96 34.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.172 172.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.38 -41.46 93.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.189 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 91.5 mt -64.35 -45.76 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.228 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.86 -44.15 99.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.158 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -61.82 -40.72 96.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.186 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -61.46 -43.66 98.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.189 176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -59.68 -43.43 94.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 178.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.56 -41.8 95.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -65.09 -39.92 93.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.231 178.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 78.5 mt -61.99 -41.69 91.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.166 178.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 46.3 t -57.49 -47.73 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.244 175.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -66.68 -36.19 81.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.196 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -62.28 -48.45 79.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.234 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -60.56 -40.42 91.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.167 179.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 70.8 ttp85 -57.92 -51.83 68.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.123 176.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.47 -38.13 80.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.217 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.5 mt -64.81 -46.79 90.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 177.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.91 -44.55 99.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.213 -179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -62.76 -37.04 85.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.231 176.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.53 -41.83 95.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.213 175.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 79.7 mt -63.31 -39.2 93.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.188 177.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.3 -42.37 98.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 174.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.16 -38.19 82.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.198 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 94.1 mt -66.03 -42.02 90.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.273 176.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 117.64 32.96 1.36 Allowed Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 -177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 7.2 p -57.87 144.01 11.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.249 178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . 0.41 ' OD2' ' NZ ' ' C' ' 77' ' ' LYS . 19.0 t0 -43.12 129.89 4.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.52 -28.57 70.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.204 -173.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' LYS . . . . . 0.41 ' NZ ' ' OD2' ' C' ' 75' ' ' ASP . 38.4 mtmm -61.98 -57.0 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.213 -176.649 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 10.8 tp -65.65 -30.84 51.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.242 178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 55.0 tp -58.59 -48.47 80.84 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.203 178.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -57.08 -47.94 79.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 176.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -56.21 -48.84 75.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 74.3 mtm -62.24 -43.33 99.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.165 -175.076 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.05 -42.35 97.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.153 -177.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -68.19 -41.5 81.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -66.87 -39.04 87.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.164 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -64.72 -47.25 78.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.139 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -60.15 -35.3 75.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.211 177.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -66.41 -38.71 88.07 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.192 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.05 -49.13 78.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.19 171.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 64.6 tttp -56.0 -48.92 75.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.201 178.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 94.0 mtm-85 -59.83 -43.84 94.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.204 179.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 74.1 m -60.14 -39.65 87.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.232 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 60.5 tp -65.18 -49.12 71.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 177.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -72.53 -33.45 66.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 -171.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -90.67 5.29 48.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.184 -170.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . 0.44 ' OXT' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.2 -1.989 0 N-CA-C 111.269 -0.732 . . . . 0.0 111.269 177.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' C' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.6 m -75.98 -19.14 58.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.777 0.323 . . . . 0.0 111.183 -165.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.401 ' ND1' ' O ' ' C' ' 96' ' ' GLY . 9.1 p-80 -70.04 -14.66 62.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.193 -175.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.6 mt -62.53 -28.17 69.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.237 -176.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.47 -50.74 64.51 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.21 -38.48 90.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 111.216 -178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.8 mt -64.21 -43.46 94.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.231 -179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 63.4 tttm -55.41 -51.81 65.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.184 177.35 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -58.68 -45.67 88.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.184 178.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -63.62 -40.93 98.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 -177.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.0 mt -61.56 -41.2 97.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.19 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.77 -40.49 95.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 176.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.12 -41.3 97.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.207 177.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 43.4 mt -60.26 -41.97 94.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.28 -41.21 96.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.209 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.96 -39.15 93.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.191 176.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.5 mt -65.44 -42.49 93.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.262 178.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.7 mt -58.9 -41.43 87.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.24 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.51 -50.25 70.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 176.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.19 -40.23 93.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.15 176.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.79 -47.48 80.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.256 -174.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -73.62 -43.95 58.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.131 -175.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.48 -39.68 85.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.232 -178.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.53 79.13 25.3 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.202 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -54.08 136.71 68.25 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.727 1.618 . . . . 0.0 111.224 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.6 p -164.06 157.18 17.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.151 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.09 -36.41 72.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.212 176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.2 tttp -58.53 -54.62 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.26 -35.01 73.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.204 -174.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.42 -50.47 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.264 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.0 t -64.69 -45.65 94.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.201 -177.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.5 -38.85 92.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.213 -178.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.06 -50.99 71.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.179 175.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 89.2 mt -62.64 -46.47 96.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.221 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -56.7 -47.15 80.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.32 92.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.202 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.7 mt -62.61 -43.09 98.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.235 -179.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 73.7 t -61.21 -41.99 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.254 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.93 -42.28 93.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 176.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -58.63 -49.34 77.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.156 176.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -56.77 -47.89 79.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.195 179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.69 -42.85 89.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.224 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -65.56 -40.35 92.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.202 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.412 ' O ' HG12 ' A' ' 48' ' ' ILE . 90.5 mt -64.28 -52.93 49.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.192 178.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.32 -40.72 82.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 -172.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.24 -45.87 91.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 176.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.0 -36.62 84.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 176.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 44' ' ' ILE . 25.9 mm -62.63 -39.51 84.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.231 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.78 -45.5 78.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.258 171.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.54 -39.41 87.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.195 177.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.2 mm -61.79 -41.53 90.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.248 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 61.8 t -61.2 -44.62 98.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.205 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.33 -40.97 96.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.202 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -63.0 -39.1 93.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.131 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -63.77 -37.56 87.82 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.188 177.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.47 -38.93 89.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.191 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -67.3 -35.45 79.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.181 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.91 -40.19 87.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.188 175.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.3 t -60.07 -43.73 93.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 174.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -61.78 -37.4 84.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 177.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.66 -49.33 73.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.221 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -58.77 -41.14 85.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.17 -179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -59.54 -54.97 40.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.196 178.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.41 -37.31 80.45 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.195 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 72.2 mt -62.4 -47.75 91.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.197 176.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.97 -42.27 95.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.56 -39.57 91.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.195 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.83 -43.72 97.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.214 173.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.38 -35.79 81.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.136 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -65.84 -40.67 91.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.21 175.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.68 -41.4 95.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.159 -176.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 43.0 pt -78.46 -20.74 13.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 -177.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.12 46.96 1.95 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 168.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.9 t -60.52 144.39 13.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.342 . . . . 0.0 111.17 169.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.77 134.63 0.7 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 179.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.49 -46.5 76.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.25 -175.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.11 -46.89 84.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.153 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.59 -42.56 92.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.178 178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.03 -45.12 93.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.226 178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.54 -40.31 94.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.196 -178.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.11 -41.84 99.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.204 178.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.44 -40.32 85.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.02 -39.81 93.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.202 179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.73 -50.52 73.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.179 173.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.31 -38.85 81.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.197 -178.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.66 -50.77 72.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.115 176.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.85 -40.82 92.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.36 -46.62 85.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.156 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.9 tp -63.83 -51.54 64.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 177.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.35 -42.96 74.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.247 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.58 -36.6 68.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.127 -178.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 65.9 m -61.31 -31.37 71.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.09 -19.06 65.73 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.151 -178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -82.88 -6.1 59.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.192 -177.058 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -70.46 176.54 3.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.198 177.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.476 ' O ' ' N ' ' B' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.2 -2.0 0 N-CA-C 111.18 -0.768 . . . . 0.0 111.18 175.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.558 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 60.5 m -75.99 -19.1 58.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.797 0.332 . . . . 0.0 111.192 -165.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . 0.402 ' ND1' ' O ' ' A' ' 96' ' ' GLY . 9.1 p-80 -70.08 -14.62 62.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.212 -175.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt -62.58 -28.1 69.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.204 -176.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.55 -50.61 65.93 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.206 -0.758 . . . . 0.0 111.206 179.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -65.24 -38.5 90.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.816 0.341 . . . . 0.0 111.213 -178.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 69.9 mt -64.34 -43.35 94.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.183 -178.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.58 -51.72 66.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.124 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -58.66 -45.69 88.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.174 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 75.1 m -63.68 -40.92 98.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.149 -177.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.3 mt -61.4 -41.31 96.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.258 178.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.71 -40.53 95.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.125 177.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.19 -41.12 97.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.256 177.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 42.7 mt -60.36 -41.99 94.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.113 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.32 -41.14 96.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.186 179.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.01 -39.17 93.03 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.175 176.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 95.4 mt -65.35 -42.52 93.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.298 177.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 56.6 mt -58.91 -41.39 87.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.216 -178.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.62 -50.2 70.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.187 176.589 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.12 -40.2 94.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.167 176.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 63.2 tp -63.9 -47.47 80.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.261 -174.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -73.56 -44.0 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.182 -175.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.45 -39.77 85.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.179 -178.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.52 79.21 25.18 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.234 -178.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.09 136.71 68.28 Favored 'Trans proline' 0 N--CA 1.458 -0.581 0 C-N-CA 121.755 1.637 . . . . 0.0 111.193 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 90.1 p -164.05 157.25 18.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.175 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -58.2 -36.38 73.02 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 177.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -58.57 -54.53 45.96 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.152 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.34 -34.96 73.27 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.174 -174.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 84.6 mt -63.48 -50.46 78.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.207 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 62.3 t -64.67 -45.68 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -63.44 -38.91 92.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.229 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.13 -50.89 71.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.118 175.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 89.1 mt -62.71 -46.5 96.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.192 -177.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -56.63 -47.23 80.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.159 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.4 92.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.227 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -62.56 -43.06 98.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.267 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.25 -42.02 91.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.88 -42.33 93.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 176.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -58.57 -49.38 77.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.208 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -56.82 -47.85 79.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.175 179.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.74 -42.81 89.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.24 -177.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.48 -40.43 93.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.228 179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.415 ' O ' HG12 ' B' ' 48' ' ' ILE . 90.3 mt -64.35 -52.86 50.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.226 178.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 54.4 t -59.33 -40.72 82.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.123 -172.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.14 -45.97 91.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.244 176.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.62 84.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.239 176.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.415 HG12 ' O ' ' B' ' 44' ' ' ILE . 26.0 mm -62.64 -39.47 84.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.207 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.86 -45.43 78.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.227 171.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.33 87.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.244 177.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 33.9 mm -61.92 -41.54 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 177.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 62.5 t -61.09 -44.72 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.155 176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.37 -40.93 96.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 175.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.96 -39.02 93.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.238 179.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.93 -37.49 87.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.152 177.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.87 88.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.243 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 75.3 mt-30 -67.26 -35.51 79.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 84.6 mt -62.91 -40.2 87.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.204 175.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.96 -43.75 93.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 174.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -61.87 -37.36 84.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 177.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.69 -49.36 73.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.181 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -58.73 -41.15 85.75 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 67.2 ttp85 -59.52 -54.99 40.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.207 178.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.31 -37.44 80.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.238 -177.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 72.6 mt -62.32 -47.86 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.244 176.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 92.3 mt -62.86 -42.24 95.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.65 -39.5 91.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 177.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.63 98.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.233 173.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.44 -35.78 81.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.15 179.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -65.78 -40.71 92.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.27 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.71 -41.35 95.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.177 -176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 pt -78.48 -20.69 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.19 -177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.09 47.02 1.94 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 168.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 38.8 t -60.54 144.39 13.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.782 0.325 . . . . 0.0 111.191 169.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.77 134.62 0.7 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.173 179.084 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.42 -46.52 76.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.233 -175.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . 0.401 ' NZ ' ' OE2' ' B' ' 81' ' ' GLU . 64.9 tttm -58.2 -46.8 85.17 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 -176.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 91.1 mt -60.66 -42.57 92.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.168 178.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 70.9 mt -59.99 -45.15 93.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.199 178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.54 -40.34 94.31 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.164 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . 0.401 ' OE2' ' NZ ' ' B' ' 77' ' ' LYS . 97.7 mt-10 -63.12 -41.77 99.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.2 178.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.47 -40.32 85.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.195 179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.06 -39.72 93.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.252 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.77 -50.45 73.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.258 173.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -59.34 -38.87 81.44 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.2 -178.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 59.5 tp -58.64 -50.79 72.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.184 176.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.78 -40.78 92.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.242 -178.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -58.41 -46.58 86.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.202 179.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 61.7 tp -63.88 -51.53 64.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.19 177.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.4 -42.86 74.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.243 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.57 -36.68 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.176 -178.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 66.5 m -61.28 -31.34 71.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.205 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 85.8 mt -66.1 -19.0 65.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.261 -178.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -82.82 -6.22 59.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.221 -177.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -70.36 176.57 3.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.17 177.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' C' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.2 -2.003 0 N-CA-C 111.204 -0.758 . . . . 0.0 111.204 175.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' B' ' 96' ' ' GLY . . . . . . . . 0 CA--C 1.523 0.544 0 N-CA-C 111.27 -0.732 . . . . 0.0 111.27 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 61.3 m -75.83 -19.27 59.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 111.22 -165.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . 0.407 ' ND1' ' O ' ' B' ' 96' ' ' GLY . 9.1 p-80 -70.01 -14.72 62.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.127 -175.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.59 -28.11 69.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.175 -176.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -59.48 -50.69 65.0 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.176 -0.77 . . . . 0.0 111.176 179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -65.25 -38.42 90.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.767 0.318 . . . . 0.0 111.257 -178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 69.7 mt -64.38 -43.41 94.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.178 -178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -55.39 -51.85 65.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.198 177.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -58.58 -45.75 88.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.191 178.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.8 m -63.58 -40.93 98.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.271 -177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.52 -41.24 97.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.195 178.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -61.8 -40.43 95.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 75.0 mtm180 -64.19 -41.25 97.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.216 177.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 43.2 mt -60.29 -41.98 94.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.161 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -61.23 -41.2 96.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.221 179.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.02 -39.1 92.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.191 176.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -65.46 -42.55 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.235 178.016 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 56.9 mt -58.85 -41.42 86.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.247 -178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -55.51 -50.33 70.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.174 176.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 93.4 mtm-85 -65.09 -40.25 94.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.13 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 63.3 tp -63.85 -47.48 80.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -174.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 72.2 tt0 -73.55 -44.03 58.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 -175.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -67.47 -39.73 85.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 -178.102 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 66.7 m-80 -139.53 79.18 25.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.221 -178.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 84.0 Cg_exo -54.12 136.68 68.44 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 121.73 1.62 . . . . 0.0 111.251 -179.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 91.2 p -164.1 157.18 17.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -58.09 -36.45 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.203 177.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -58.53 -54.55 45.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 97.6 mm-40 -70.36 -34.92 73.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.196 -174.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.5 -50.36 78.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.226 179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 61.7 t -64.77 -45.65 94.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.156 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -63.43 -38.91 92.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.235 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.09 -50.89 71.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.208 175.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 89.2 mt -62.73 -46.38 96.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.288 -177.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 61.3 ttp180 -56.7 -47.22 80.38 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.31 -39.31 92.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.227 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 74.8 mt -62.6 -42.96 97.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.298 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 73.2 t -61.34 -42.01 91.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.152 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -59.96 -42.25 93.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 176.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 42.0 m-80 -58.62 -49.32 77.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.237 176.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -56.74 -47.95 78.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.7 -42.8 89.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.264 -177.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 82.8 mt-30 -65.52 -40.4 92.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . 0.409 ' O ' HG12 ' C' ' 48' ' ' ILE . 90.0 mt -64.38 -52.84 50.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.138 178.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -59.45 -40.7 82.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.103 -172.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -60.13 -45.93 91.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.227 176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.08 -36.46 84.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.27 176.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . 0.409 HG12 ' O ' ' C' ' 44' ' ' ILE . 25.9 mm -62.8 -39.4 84.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 71.1 ttp85 -55.79 -45.55 78.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.272 171.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.38 87.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.236 177.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 34.1 mm -61.91 -41.48 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.195 177.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 62.2 t -61.11 -44.72 98.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 176.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.44 -40.85 95.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.176 175.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -62.95 -39.11 93.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 179.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -63.86 -37.51 87.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 177.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.43 -38.93 88.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.24 175.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 75.4 mt-30 -67.22 -35.51 79.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.23 178.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 84.3 mt -62.92 -40.19 87.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.227 175.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.94 -43.81 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.224 174.008 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -61.75 -37.47 84.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 177.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 41.7 m-80 -63.66 -49.32 73.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.24 173.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -58.6 -41.29 85.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.16 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 67.3 ttp85 -59.47 -55.06 39.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.187 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.3 -37.4 80.41 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.223 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.36 -47.82 91.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.217 176.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 92.5 mt -62.83 -42.29 95.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.182 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.62 -39.52 91.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.224 177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.8 -43.78 97.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.217 173.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.3 -35.75 81.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.237 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 57.6 tt0 -65.9 -40.72 91.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.142 175.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.61 -41.39 94.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -176.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 42.9 pt -78.47 -20.71 13.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.178 -177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 99.09 46.84 1.97 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.334 -0.706 . . . . 0.0 111.334 169.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 38.9 t -60.41 144.37 13.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 111.219 169.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -37.81 134.69 0.7 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.19 179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -55.52 -46.52 77.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.216 -175.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -58.09 -46.9 84.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.21 -176.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.54 -42.57 91.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.243 178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 70.6 mt -60.04 -45.16 93.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 178.272 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.47 -40.39 94.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.185 -178.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -63.08 -41.72 99.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.266 178.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 70.9 mtm -67.52 -40.31 85.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.202 179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -62.04 -39.78 93.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.268 179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.64 -50.62 72.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.234 173.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 92.1 mt-30 -59.23 -38.89 81.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.201 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 59.4 tp -58.64 -50.81 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.165 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.76 -40.82 92.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.218 -178.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -58.36 -46.6 85.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.143 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 61.4 tp -63.97 -51.45 64.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.145 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -55.41 -42.98 74.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.204 -176.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 88.5 mtm180 -72.44 -36.69 68.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.241 -178.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 66.5 m -61.23 -31.41 71.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.181 -179.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 85.5 mt -66.12 -19.01 65.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.201 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -82.85 -6.2 59.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.171 -177.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -70.29 176.52 3.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.214 177.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 1' ' ' GLY . . . . . . . . 0 C--O 1.199 -2.066 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -68.68 156.28 38.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.776 0.322 . . . . 0.0 111.246 168.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 73.8 m-70 -66.2 -43.79 85.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.186 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 26.2 tp -61.29 -46.38 90.55 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.81 -54.08 40.24 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -68.79 -32.22 71.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 -177.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.4 tp -64.16 -47.6 79.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.149 176.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.43 -42.43 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.174 176.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -54.02 -46.47 71.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 174.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -59.41 -39.36 83.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.268 178.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.32 -41.59 84.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.211 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.88 -37.87 89.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.196 178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 56.7 mtm180 -64.14 -39.99 95.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.193 173.323 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.61 -39.57 94.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.181 177.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.14 -52.59 64.9 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.214 177.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.7 tt0 -56.48 -48.93 76.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.181 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.76 -44.27 99.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.214 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 58.2 tp -57.75 -46.62 84.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.202 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.35 -39.43 87.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.255 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.62 -38.08 89.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.283 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.18 -38.8 90.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.21 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.69 -37.66 87.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.21 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -80.57 -35.03 34.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.202 177.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.19 94.96 2.37 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.154 -176.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 91.2 Cg_endo -81.27 61.45 8.13 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 121.686 1.591 . . . . 0.0 111.212 -173.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 96.5 p -74.45 155.64 37.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.109 -177.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.16 -38.44 79.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.212 175.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.85 -50.3 72.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 178.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -64.75 -35.84 82.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.196 -177.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 79.4 mt -62.99 -45.75 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.19 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.5 t -66.03 -41.68 90.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.171 177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.91 -38.28 87.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 176.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.26 -47.84 82.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.256 173.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 91.9 mt -60.19 -46.53 94.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.25 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 72.8 ttt180 -49.98 -54.74 18.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.181 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.64 83.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.121 -177.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.0 mt -64.61 -44.34 96.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.4 -43.17 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.206 178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.97 -38.67 92.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.2 176.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.23 -50.3 73.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.159 171.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.02 -35.78 77.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.153 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.11 -42.17 89.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.206 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 87.9 mm-40 -66.05 -35.02 79.42 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.22 178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.85 -47.83 84.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.221 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.67 -46.12 79.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.182 -177.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.42 -37.94 86.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.15 -40.41 95.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.2 176.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mm -62.61 -42.83 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.19 -48.13 71.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.226 172.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.02 83.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.156 -179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.71 -43.13 96.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.23 177.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 53.9 t -60.59 -45.0 97.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.155 177.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.31 -42.11 98.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.17 177.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.69 -46.41 89.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.225 174.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.49 -42.42 87.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.193 179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.97 -41.37 96.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.205 177.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.58 -37.85 87.85 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.73 -42.76 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.2 176.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.99 -47.51 91.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.227 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.08 -37.46 87.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.295 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 -63.36 -49.58 73.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.266 174.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.07 -39.33 85.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.216 179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -55.64 -53.42 56.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.86 -38.48 85.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.207 -178.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.31 -47.21 94.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.118 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.25 -43.34 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.272 179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.46 -40.66 92.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.2 178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.92 -44.93 96.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.176 174.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.61 -35.09 79.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.185 -178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.78 -44.46 85.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.219 174.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.47 -34.68 71.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.27 -175.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 41.6 pt -88.95 -3.42 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.215 -175.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.87 47.18 4.87 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 170.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.6 t -72.76 143.72 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.835 0.35 . . . . 0.0 111.207 170.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -40.46 129.21 2.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 -178.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.43 -38.54 66.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 -177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -57.95 -48.11 80.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.215 -176.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.57 -41.63 92.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.222 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.18 -43.06 92.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.162 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.63 -43.24 99.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.186 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.96 -44.9 91.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.169 179.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.14 -41.26 94.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.171 -178.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.36 -34.82 78.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.148 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.26 -45.11 93.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.209 173.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.51 -37.09 85.77 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.204 176.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.77 -49.14 73.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.212 177.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.36 -42.58 98.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.217 178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.84 -36.85 82.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.155 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 72.9 mt -62.41 -43.36 99.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.201 174.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.97 -32.81 71.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.265 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 87.6 mtt-85 -56.32 -31.32 63.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.222 -178.166 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 82.2 p -63.38 -22.1 66.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -175.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 92.1 mt -72.79 -17.07 61.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.241 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -88.43 -5.82 58.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.01 -46.55 5.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.203 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.201 -1.947 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -179.218 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -68.66 156.19 38.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.807 0.337 . . . . 0.0 111.231 168.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -66.17 -43.71 86.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.229 -178.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 26.1 tp -61.35 -46.34 90.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.189 176.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.89 -54.02 40.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.79 -32.22 71.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.739 0.304 . . . . 0.0 111.154 -177.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.18 -47.59 79.22 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.138 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.4 -42.54 99.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.181 176.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -53.89 -46.5 71.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.24 174.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -59.41 -39.43 83.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.233 178.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 50.8 tp -58.26 -41.52 84.46 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.289 177.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.94 -37.8 88.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.296 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.18 -39.99 95.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.205 173.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 71.2 mt -63.62 -39.54 94.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.218 177.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 68.7 ttp85 -58.17 -52.61 64.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.204 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 76.5 tt0 -56.43 -48.95 75.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.211 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -62.8 -44.27 99.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.196 -178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 58.1 tp -57.74 -46.57 84.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.228 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -60.41 -39.37 87.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.264 178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.59 -38.19 90.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.261 177.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.1 -38.84 90.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.208 178.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -62.64 -37.74 87.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.209 178.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -80.5 -35.09 35.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 177.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.2 95.02 2.37 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.201 -176.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -81.26 61.36 8.11 Favored 'Trans proline' 0 N--CA 1.458 -0.616 0 C-N-CA 121.699 1.599 . . . . 0.0 111.226 -173.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 97.7 p -74.39 155.64 37.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.161 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.16 -38.44 79.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 175.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.79 -50.37 72.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -64.67 -35.87 82.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.188 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 79.2 mt -63.0 -45.84 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.139 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 72.2 t -66.03 -41.59 89.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.216 178.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.98 -38.17 87.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.198 176.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.33 -47.85 82.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.161 173.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 91.4 mt -60.21 -46.48 94.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.306 179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -50.03 -54.71 18.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.219 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.25 -37.61 83.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.099 -177.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 75.0 mt -64.63 -44.43 96.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.36 -43.24 97.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.162 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.87 -38.72 91.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.266 175.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.2 -50.28 73.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.186 171.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -61.02 -35.84 77.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.123 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.09 -42.22 89.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.179 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 87.8 mm-40 -65.94 -35.09 79.65 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.219 178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.0 mt -65.82 -47.85 84.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.193 179.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.7 t -55.67 -46.22 79.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.125 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.29 -37.99 86.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.217 178.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.14 -40.36 95.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.235 176.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 29.0 mm -62.64 -42.76 97.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -178.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.12 -48.2 71.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.242 172.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.86 -38.96 83.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.195 -179.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.7 mt -64.78 -43.1 96.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.203 177.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.56 -44.98 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.197 177.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.4 -42.08 98.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.122 177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.75 -46.32 89.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.23 174.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -58.61 -42.33 87.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.183 179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.08 -41.21 96.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.208 177.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -65.71 -37.85 87.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.195 178.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.64 -42.86 95.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.133 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.05 -47.46 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 177.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.03 -37.45 87.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.288 -179.701 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -63.46 -49.58 73.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.184 175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -60.05 -39.36 85.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.235 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -55.61 -53.43 56.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.284 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.51 85.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.239 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.38 -47.19 94.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 176.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 91.2 mt -62.17 -43.4 97.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.223 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.59 -40.59 92.33 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.98 -44.94 96.65 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 174.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.53 -35.1 79.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 -178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.77 -44.51 85.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.166 174.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.51 -34.71 71.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.2 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 41.4 pt -88.9 -3.44 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.223 -175.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.89 47.24 4.84 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.174 -0.77 . . . . 0.0 111.174 170.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 36.8 t -72.74 143.69 13.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.778 0.323 . . . . 0.0 111.237 170.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -40.48 129.2 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.183 -178.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.33 -38.62 66.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 -177.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -57.91 -48.17 80.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -176.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.64 -41.68 92.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.081 179.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 90.2 mt -59.13 -43.04 91.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.175 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.56 -43.29 99.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.94 -44.93 91.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.14 -41.31 94.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.118 -178.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.29 -34.81 78.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.155 -178.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.34 -45.1 92.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.229 173.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.43 -37.14 86.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.183 176.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 56.7 tp -55.73 -49.15 73.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.188 177.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.4 -42.57 98.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.176 178.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -61.79 -36.89 82.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.147 -178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 73.0 mt -62.45 -43.28 99.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 174.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -59.98 -32.79 71.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.22 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -56.44 -31.3 63.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.124 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 82.2 p -63.39 -21.99 66.61 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.209 -175.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 92.4 mt -72.92 -17.02 61.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.257 -175.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -88.42 -5.73 58.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.267 179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.03 -46.67 5.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.125 178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.016 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.153 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.573 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -68.69 156.22 38.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.81 0.338 . . . . 0.0 111.207 168.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 74.1 m-70 -66.16 -43.74 86.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.238 -178.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 26.5 tp -61.29 -46.43 90.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.189 176.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -57.82 -54.08 40.2 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.201 -0.76 . . . . 0.0 111.201 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -68.71 -32.26 71.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.856 0.36 . . . . 0.0 111.181 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 39.5 tp -64.16 -47.69 78.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.102 176.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -62.34 -42.52 99.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.206 176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -53.83 -46.56 71.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.205 174.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 75.0 m -59.43 -39.37 83.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.241 178.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 50.6 tp -58.28 -41.6 84.7 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.235 177.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -64.92 -37.89 89.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.189 178.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 56.6 mtm180 -64.08 -40.02 95.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.18 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.63 -39.59 94.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.188 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 68.8 ttp85 -58.06 -52.66 64.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.213 177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -56.49 -48.94 76.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.16 -179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.2 mt -62.74 -44.37 99.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -178.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 58.0 tp -57.63 -46.68 83.84 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.187 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -60.38 -39.4 87.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.227 178.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.5 mtt-85 -64.52 -38.22 90.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.241 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 60.8 mt -62.16 -38.77 90.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.199 178.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -62.73 -37.71 87.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.113 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -80.47 -35.15 35.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.214 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -156.12 95.02 2.38 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.199 -176.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -81.25 61.34 8.11 Favored 'Trans proline' 0 C--N 1.327 -0.575 0 C-N-CA 121.697 1.598 . . . . 0.0 111.221 -173.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -74.39 155.59 37.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 -177.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -59.09 -38.48 79.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.204 175.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 tttm -56.82 -50.35 72.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 178.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -64.77 -35.84 82.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -177.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 79.3 mt -62.98 -45.75 98.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.163 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 72.5 t -66.06 -41.66 90.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.158 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.9 -38.21 87.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.203 176.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.35 -47.73 82.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.286 173.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 91.5 mt -60.23 -46.49 94.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.275 178.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 73.0 ttt180 -50.03 -54.7 18.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.209 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.6 83.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.158 -177.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 75.3 mt -64.56 -44.42 96.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 75.7 t -64.34 -43.24 97.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.201 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -62.92 -38.69 92.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.268 176.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 22.7 t-20 -57.21 -50.31 73.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.19 171.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.99 -35.82 77.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.2 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.06 -42.16 89.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.235 179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -66.11 -34.92 79.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.187 178.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 96.1 mt -65.86 -47.9 83.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.171 178.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.6 t -55.66 -46.13 79.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.185 -177.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -66.32 -38.06 86.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.177 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.38 95.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.236 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 29.1 mm -62.61 -42.75 97.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.192 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -54.16 -48.25 71.08 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.176 172.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.77 -39.04 83.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.175 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 87.6 mt -64.69 -43.25 96.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.152 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 53.8 t -60.5 -45.04 97.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.162 177.074 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.31 -42.08 98.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -59.75 -46.4 89.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.203 174.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 -58.45 -42.44 87.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.191 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.98 -41.27 96.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.254 177.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 85.6 mt-30 -65.72 -37.79 87.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.224 178.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.69 -42.77 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.205 176.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.5 t -60.05 -47.44 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.166 177.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -65.12 -37.48 87.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.225 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 16.6 t-20 -63.42 -49.56 73.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.225 175.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -60.07 -39.35 85.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.182 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -55.6 -53.47 56.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.2 176.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.55 85.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.202 -178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.32 -47.15 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.179 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.2 -43.39 97.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.267 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -60.51 -40.62 92.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.166 179.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.0 -44.92 96.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.221 174.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.54 -35.15 79.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.223 -178.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -65.79 -44.49 85.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.18 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.44 -34.74 71.16 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.232 -175.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 41.4 pt -88.88 -3.45 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -175.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 86.92 47.09 4.89 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 170.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 37.2 t -72.67 143.73 13.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 0.0 111.238 170.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -40.49 129.21 2.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.22 -178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 52.8 tt0 -54.34 -38.61 66.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.222 -177.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.2 mtmm -57.91 -48.19 80.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.165 -176.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 96.6 mt -64.53 -41.67 92.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.207 178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 90.1 mt -59.11 -43.09 91.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -179.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.58 -43.26 99.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.254 179.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -58.87 -44.94 91.2 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.231 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 72.9 mtm -65.13 -41.32 94.95 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.198 -178.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.3 -34.77 78.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.212 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -63.43 -44.99 92.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.208 173.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 97.2 mm-40 -65.53 -37.15 85.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.147 176.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 56.5 tp -55.63 -49.21 73.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.235 177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.34 -42.61 98.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.2 178.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -61.8 -36.87 82.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.198 -178.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 73.2 mt -62.36 -43.45 98.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 174.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -59.85 -32.86 71.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.279 -179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 87.8 mtt-85 -56.39 -31.23 63.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.206 -178.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 82.3 p -63.48 -21.96 66.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.158 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 92.3 mt -72.95 -16.95 61.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.268 -175.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -88.49 -5.76 58.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.213 179.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -99.03 -46.62 5.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.997 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 -179.155 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.3 p -61.42 -28.31 69.17 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.221 -178.14 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -66.99 -35.9 80.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.267 178.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.15 -38.82 90.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.243 177.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.63 -52.15 54.69 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 173.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -59.1 -41.19 87.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.741 0.305 . . . . 0.0 111.216 -178.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 67.9 mt -62.24 -45.25 94.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.2 -40.01 86.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.198 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -58.46 -48.16 81.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.243 175.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 62.3 m -57.91 -40.99 81.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.297 179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.06 -39.3 94.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.204 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -67.35 -41.83 84.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.159 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.85 -38.9 83.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.239 174.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 37.4 tp -63.23 -40.75 98.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.213 176.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.44 -48.65 78.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.204 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.82 -39.03 80.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.113 -177.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.12 -46.91 83.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.18 177.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.5 tp -56.46 -45.9 80.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.35 -42.06 90.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -177.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.52 -40.93 96.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.238 174.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 62.5 tp -60.63 -50.06 75.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.42 -41.54 96.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -175.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.77 -41.87 74.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.164 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -137.84 80.64 30.2 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -178.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -54.01 135.53 64.07 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 121.72 1.613 . . . . 0.0 111.212 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 93.3 p -164.76 155.92 14.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 -179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.62 -36.93 74.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.212 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.32 -52.18 66.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.092 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.28 -31.42 68.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.185 -174.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.6 mt -62.73 -49.51 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.201 176.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.07 -43.41 97.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.202 -179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -64.68 -38.84 92.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.236 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.9 88.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.226 175.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.4 ' O ' HG23 ' A' ' 38' ' ' VAL . 86.1 mt -63.02 -47.45 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.136 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.08 -52.46 51.1 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.18 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.29 83.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.209 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 75.8 mt -65.14 -44.93 95.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.146 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 34' ' ' ILE . 64.4 t -58.97 -46.15 91.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.235 179.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.48 -40.72 97.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.194 178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.89 -41.68 91.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.197 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -55.9 -43.35 77.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 177.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.66 89.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.211 177.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.67 -39.98 94.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.213 178.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.4 mt -69.02 -45.94 79.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.236 -177.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 45.4 t -59.68 -40.71 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.172 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.7 tp10 -59.12 -40.52 85.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.275 175.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.7 -42.28 99.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.231 175.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.8 mm -58.44 -45.76 89.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.181 175.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.4 -53.56 56.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.23 179.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.09 -39.37 78.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.208 -177.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.03 -48.2 86.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.166 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 55.0 t -60.39 -44.52 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.265 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -64.16 -39.65 94.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 178.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 98.0 m-20 -61.58 -43.02 99.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.219 176.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -60.12 -38.37 82.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.64 -43.06 93.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.183 176.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.09 -37.31 87.09 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.274 177.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.8 mt -64.25 -43.21 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 46.4 t -59.69 -46.67 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.188 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -66.43 -37.22 84.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.214 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.47 -46.47 89.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 172.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.19 -37.29 79.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.181 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -58.1 -47.4 83.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.206 174.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.75 -38.4 85.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.258 178.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 85.3 mt -62.17 -45.39 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.23 176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.26 -43.44 97.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.158 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.27 -39.58 93.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.245 177.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.93 83.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.1 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 80.2 mt -69.71 -43.99 71.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 176.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -60.42 -38.34 83.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.202 179.043 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.73 -25.47 64.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.164 -176.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 45.6 pt -112.07 23.44 4.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.186 -173.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.94 22.17 55.83 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.17 -0.772 . . . . 0.0 111.17 159.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 37.7 t -64.17 143.92 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.3 . . . . 0.0 111.181 176.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -43.62 129.58 5.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.297 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.23 -45.21 94.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.234 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.31 -46.53 88.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.221 -173.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 90.1 mt -59.93 -43.52 92.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.216 177.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.57 -43.33 99.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.53 -41.56 97.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.191 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.11 -39.39 94.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.41 -38.75 85.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.247 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.95 -40.25 97.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.231 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.36 -38.76 90.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 178.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.02 -38.22 87.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.208 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.4 mt -69.92 -35.59 74.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.19 179.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.42 -40.52 97.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.254 176.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -62.28 -42.71 99.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.224 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.83 -42.57 99.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.245 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -58.99 -46.23 88.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.167 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.32 -37.51 83.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.23 178.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 34.2 t -64.25 -42.12 96.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.184 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 78.3 mt -66.14 -24.16 66.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.241 -175.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.67 -29.42 66.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 174.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -95.66 -47.03 6.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.221 175.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.198 -2.102 0 N-CA-C 111.226 -0.75 . . . . 0.0 111.226 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.606 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -61.4 -28.28 69.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.831 0.348 . . . . 0.0 111.151 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -67.05 -36.0 81.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.193 178.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -62.06 -38.87 90.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.209 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.51 -52.27 53.87 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 173.012 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -59.14 -41.13 87.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.34 . . . . 0.0 111.184 -178.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 68.4 mt -62.21 -45.32 93.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.188 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.21 -40.03 86.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.166 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 90.4 t80 -58.49 -48.11 81.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.182 175.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 62.3 m -57.95 -41.01 81.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.27 179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.03 -39.3 94.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.232 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -67.41 -41.82 84.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 -178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.9 -38.87 83.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.248 174.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 37.5 tp -63.15 -40.78 98.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.242 176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.49 -48.55 78.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.197 174.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.81 -39.1 80.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.115 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 95.1 mt -67.2 -46.89 83.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 64.4 tp -56.46 -45.83 80.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.23 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.43 -42.02 90.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.167 -177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.63 -40.83 96.17 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.205 174.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 62.8 tp -60.68 -49.99 75.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.226 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.49 -41.6 96.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.156 -175.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -69.52 -42.09 75.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.203 -178.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.69 80.56 31.3 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.211 -178.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 81.3 Cg_exo -54.02 135.51 64.07 Favored 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 121.745 1.63 . . . . 0.0 111.168 -179.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 93.2 p -164.69 156.01 15.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.198 -179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.7 -36.94 75.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.168 178.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.23 -52.14 66.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.179 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -70.39 -31.3 68.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.217 -174.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.85 -49.47 83.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 176.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 61.6 t -64.06 -43.41 97.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.208 -179.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.7 -38.85 92.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.202 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.42 -46.84 88.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.237 175.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 86.0 mt -62.99 -47.47 92.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.158 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.07 -52.36 51.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 178.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.71 -38.21 84.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -178.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 76.3 mt -65.08 -44.92 95.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.22 178.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 64.7 t -59.02 -46.16 91.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.42 -40.81 98.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.182 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.92 -41.6 91.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.259 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -55.92 -43.43 77.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.186 177.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.64 89.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.237 177.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.61 -40.07 94.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.167 178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -68.96 -45.96 79.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.236 -177.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 45.1 t -59.74 -40.65 83.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -59.14 -40.54 85.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.225 175.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.75 -42.22 99.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.162 175.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.49 -45.75 89.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.148 175.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.45 -53.47 57.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.278 179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.19 78.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.282 -177.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.13 -48.14 87.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.174 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.54 -44.4 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.256 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -64.05 -39.72 94.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.68 -42.93 99.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.213 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -60.18 -38.36 82.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.63 -43.04 93.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 176.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.09 -37.37 87.26 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.194 177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.26 -43.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 177.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 45.9 t -59.86 -46.52 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.253 178.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -66.47 -37.27 84.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.207 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -60.35 -46.47 89.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.185 172.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.24 -37.27 79.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.238 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 65.2 ttp85 -58.13 -47.3 83.72 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.213 174.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.81 -38.41 85.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.205 178.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.25 -45.37 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.194 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.19 -43.44 97.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.246 178.55 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.25 -39.69 93.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.163 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.57 -38.02 83.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.168 174.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 80.4 mt -69.64 -43.92 71.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.226 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -60.51 -38.36 84.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.65 -25.52 64.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.178 -176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 45.6 pt -112.05 23.46 4.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.213 -173.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.91 22.14 55.96 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 159.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 37.9 t -64.12 143.9 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.735 0.302 . . . . 0.0 111.214 176.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -43.61 129.52 5.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.277 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.23 -45.25 93.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -176.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.37 -46.44 88.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.205 -172.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 89.8 mt -60.04 -43.48 92.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.159 177.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 65.7 mt -61.51 -43.25 99.21 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.219 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.75 -41.26 97.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 -178.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 72.4 mm-40 -63.36 -39.31 94.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.167 -179.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.36 -38.81 85.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.242 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -62.99 -40.24 97.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.226 179.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.32 -38.75 90.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.196 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 94.1 mm-40 -62.1 -38.21 88.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.193 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 48.7 mt -69.83 -35.64 74.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.243 179.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.3 -40.59 97.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.305 176.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.43 -42.55 99.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.217 175.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 54.4 mt -62.88 -42.56 99.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.251 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -59.0 -46.17 88.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.227 177.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -61.41 -37.46 83.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.22 178.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 34.1 t -64.22 -42.2 96.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.167 175.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 78.1 mt -66.13 -24.19 66.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.207 -175.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.5 -29.56 66.36 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.204 174.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 39.7 mmt180 -95.49 -47.19 6.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.231 175.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.019 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.938 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.586 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 83.3 p -61.43 -28.22 69.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.791 0.329 . . . . 0.0 111.192 -178.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -67.09 -36.0 81.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.14 178.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -62.05 -38.87 90.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.241 177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -58.58 -52.11 54.89 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 173.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -59.11 -41.29 87.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.829 0.347 . . . . 0.0 111.179 -178.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.1 -45.29 94.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.25 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -67.2 -39.99 86.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.226 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 90.3 t80 -58.43 -48.19 81.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.255 175.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 61.9 m -57.94 -40.99 81.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.265 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . . . . . . . . . 75.6 mt -63.04 -39.28 94.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.209 -179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 73.3 mm-40 -67.47 -41.78 84.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 -178.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 -67.82 -38.92 83.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.223 174.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 37.3 tp -63.26 -40.68 98.1 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.238 176.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 66.5 ttp85 -57.46 -48.62 78.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.165 174.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -58.93 -38.95 80.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.124 -177.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 95.2 mt -67.22 -46.87 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.216 177.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 64.6 tp -56.41 -45.88 80.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.233 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.34 -42.15 90.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.145 -177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -64.62 -40.76 96.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.267 174.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 62.3 tp -60.68 -50.01 75.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.232 -179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.48 -41.6 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -175.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.62 -42.01 74.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.0 m-80 -137.72 80.6 31.02 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.256 -178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -53.98 135.52 63.89 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 121.739 1.626 . . . . 0.0 111.164 -179.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 92.9 p -164.8 155.94 14.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 -179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -58.69 -36.86 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.179 178.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.31 -52.12 66.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.156 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -70.4 -31.25 68.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -174.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 81.5 mt -62.84 -49.5 83.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.173 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.07 -43.41 97.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -64.72 -38.82 92.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.185 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.39 -46.89 88.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.207 175.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.404 ' O ' HG23 ' C' ' 38' ' ' VAL . 85.8 mt -63.0 -47.4 92.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.17 179.223 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 63.9 ttp85 -52.19 -52.42 52.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.177 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.51 -38.27 83.82 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.204 -178.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 76.0 mt -65.1 -44.97 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.123 178.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.404 HG23 ' O ' ' C' ' 34' ' ' ILE . 65.0 t -58.93 -46.2 91.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.248 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -63.49 -40.71 97.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.143 178.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.97 -41.61 90.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.223 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -55.96 -43.32 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.211 177.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.72 89.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.198 177.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -64.61 -39.96 94.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.207 178.122 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 97.3 mt -69.09 -45.96 79.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.149 -177.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 45.2 t -59.66 -40.74 83.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.168 179.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 39.8 tp10 -59.14 -40.49 85.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.246 175.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.23 99.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.228 175.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 24.9 mm -58.46 -45.73 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 66.2 ttp85 -57.44 -53.48 57.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.251 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -58.25 -39.22 78.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.189 -177.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 74.4 mt -64.16 -48.06 87.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.13 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.57 -44.48 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.37 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.23 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -63.96 -39.79 94.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.16 178.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -61.61 -43.02 99.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.173 176.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -60.09 -38.38 82.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.191 178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.71 -42.92 94.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.224 176.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -65.1 -37.36 87.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.296 177.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.26 -43.17 97.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.182 177.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 46.2 t -59.72 -46.64 93.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.201 178.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -66.44 -37.21 84.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.209 179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -60.43 -46.5 89.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 172.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -60.24 -37.25 79.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.215 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 65.3 ttp85 -58.13 -47.26 83.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.216 174.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.87 -38.42 85.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.183 178.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 85.2 mt -62.25 -45.32 99.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.246 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.28 -43.46 98.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.182 178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -62.13 -39.77 93.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 177.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.63 -37.95 83.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.128 175.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 80.5 mt -69.63 -44.04 71.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 176.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -60.47 -38.31 83.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.208 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.62 -25.49 64.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.178 -176.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 45.5 pt -112.14 23.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.161 -173.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 83.97 22.01 56.12 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 159.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 37.8 t -64.1 143.92 15.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.773 0.32 . . . . 0.0 111.205 176.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -43.6 129.57 5.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.242 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -60.25 -45.28 93.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -176.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -59.29 -46.5 88.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.212 -172.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.94 -43.54 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.218 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 65.6 mt -61.53 -43.22 99.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.222 -179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.69 -41.45 97.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -63.16 -39.45 94.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.224 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 77.2 mtm -67.36 -38.75 85.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.271 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -62.91 -40.32 97.22 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 179.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 55.6 mtmt -62.27 -38.84 90.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.174 178.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 94.2 mm-40 -62.0 -38.27 87.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.218 179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 48.3 mt -69.86 -35.57 74.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.267 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -63.3 -40.64 97.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.281 176.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -62.37 -42.57 99.51 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.22 175.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 54.0 mt -62.91 -42.57 99.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.16 176.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -59.11 -46.1 89.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -61.39 -37.47 83.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.222 178.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 34.0 t -64.27 -42.08 96.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.213 175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.2 -24.15 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 -175.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -58.72 -29.38 66.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.134 174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 39.6 mmt180 -95.6 -47.16 6.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.156 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.984 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.7 p -67.2 -17.53 64.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.797 0.332 . . . . 0.0 111.222 -178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.8 p-80 -66.64 -13.2 60.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 -173.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.26 -23.95 64.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.244 174.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.09 -30.56 5.97 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -75.92 -40.05 54.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.845 0.355 . . . . 0.0 111.222 -175.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.9 mt -63.59 -38.06 89.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.224 177.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.19 -46.9 75.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.209 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -55.79 -51.16 68.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.225 173.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.2 m -61.99 -39.76 93.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.246 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.566 ' C ' HD13 ' A' ' 11' ' ' LEU . 3.4 tm? -66.13 -47.65 73.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.244 -176.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.34 -36.91 85.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.0 -37.79 78.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.163 174.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.08 -43.86 95.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.202 173.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.89 -46.18 82.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.17 174.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -55.26 -46.02 76.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.177 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.79 -43.79 97.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 52.9 tp -55.53 -49.44 72.61 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.188 176.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.38 -40.79 92.12 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.198 -179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.6 -39.22 91.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.185 175.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.09 -49.96 75.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.282 178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.55 -40.62 97.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.254 -175.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.29 -41.35 81.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.178 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.43 80.01 34.36 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.272 -178.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_exo -54.62 134.56 62.86 Favored 'Trans proline' 0 N--CA 1.459 -0.554 0 C-N-CA 121.62 1.547 . . . . 0.0 111.226 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 97.3 p -164.95 156.26 14.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.237 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.04 -38.61 79.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.213 176.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -59.02 -51.25 70.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.153 179.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -65.43 -34.34 78.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.23 -177.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.47 -48.83 85.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.199 177.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.8 t -64.01 -43.83 97.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.245 -179.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -64.99 -37.86 89.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.225 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.53 -47.07 87.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.259 174.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.36 -46.63 96.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.207 178.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.29 -53.45 43.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.172 177.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.87 -37.82 83.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.175 -178.163 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.9 mt -63.89 -46.38 94.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.193 178.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 68.6 t -62.06 -45.58 98.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.213 -179.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -62.05 -41.5 98.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.188 178.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.44 -50.52 73.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.294 174.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.66 -39.99 90.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.58 -42.37 82.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.186 -178.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.01 -36.59 80.22 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.78 -48.21 83.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.209 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 47.3 t -58.79 -41.31 82.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.253 -176.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.81 -39.28 93.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 175.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.24 -39.05 93.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.19 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.91 -44.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.174 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 95.6 mtt180 -64.92 -46.65 80.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.153 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.11 -42.33 98.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.14 -179.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 93.5 mt -67.63 -51.84 47.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.16 -176.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.47 -43.3 94.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.249 -176.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.89 -41.78 99.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.233 178.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -61.83 -41.95 98.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.261 175.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.65 -39.41 93.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.165 177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.09 -39.58 90.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.287 176.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -66.01 -37.26 85.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.206 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.7 mt -61.55 -42.5 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 174.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 54.9 t -60.03 -45.38 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.2 176.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.2 -39.06 93.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.224 177.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -57.92 -45.33 86.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.181 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -60.27 -36.03 76.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.265 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -59.72 -45.74 91.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.227 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.86 -36.92 77.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.189 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.59 -41.95 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.176 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.5 -43.58 91.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.102 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.11 -39.93 87.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.158 177.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.99 -43.67 98.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.225 174.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.6 mt -64.3 -40.49 96.05 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 178.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 59.7 tt0 -64.98 -37.27 87.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 178.251 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.56 -36.77 76.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.224 177.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 40.0 mm -74.06 -40.14 51.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.184 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.82 41.35 0.85 Allowed Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.11 -0.796 . . . . 0.0 111.11 175.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.24 140.2 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.724 0.297 . . . . 0.0 111.169 169.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -41.55 127.31 3.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.15 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.69 -34.88 73.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.238 -174.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.26 -47.99 80.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 -176.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.65 -43.64 97.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.204 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 91.0 mt -66.41 -45.39 80.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 -175.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -64.9 -37.0 86.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.146 -174.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.71 -45.75 85.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.121 175.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.51 -36.62 83.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.199 -178.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.5 -40.87 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.143 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.15 -44.67 87.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.223 177.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -56.13 -43.47 78.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.144 -179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -73.17 -39.27 65.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.186 -176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.07 -46.4 82.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.15 -41.42 99.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.198 179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 68.1 mt -65.64 -44.02 87.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.22 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -58.24 -43.55 87.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.266 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.15 -46.33 87.71 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.218 177.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 43.3 t -59.69 -40.18 87.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.226 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.4 mt -86.53 -0.85 56.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.256 -174.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -59.9 130.53 47.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.168 -177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -82.3 151.53 26.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.157 179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.992 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 175.518 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.1 p -67.18 -17.55 64.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.862 0.363 . . . . 0.0 111.203 -178.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -66.58 -13.19 60.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.185 -173.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.33 -23.9 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.221 174.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.12 -30.47 5.99 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.252 -0.739 . . . . 0.0 111.252 177.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -75.92 -40.14 54.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.802 0.334 . . . . 0.0 111.156 -175.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.59 -38.05 89.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.231 177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.14 -46.99 75.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.226 -177.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -55.79 -51.13 68.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 174.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -62.06 -39.74 93.41 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.182 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.565 ' C ' HD13 ' B' ' 11' ' ' LEU . 3.4 tm? -66.11 -47.68 73.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.265 -176.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -65.33 -36.93 85.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 -178.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.08 -37.76 78.63 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 36.3 tp -60.1 -43.87 95.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 173.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.87 -46.16 82.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.188 174.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -55.22 -46.09 75.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.218 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.74 -43.77 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.167 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 53.0 tp -55.55 -49.37 72.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.246 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.42 -40.81 92.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.141 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.58 -39.25 91.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.177 175.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 56.5 tp -61.03 -50.05 74.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.189 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.61 -40.52 97.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.259 -175.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.26 -41.54 80.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.29 80.05 34.99 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.236 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -54.66 134.55 62.92 Favored 'Trans proline' 0 N--CA 1.459 -0.538 0 C-N-CA 121.704 1.602 . . . . 0.0 111.22 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 97.2 p -164.99 156.24 14.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.251 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -59.07 -38.57 79.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.194 177.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.98 -51.26 70.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.2 179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -65.4 -34.41 78.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -63.5 -48.87 85.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 177.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.02 -43.79 97.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -65.09 -37.84 88.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.166 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.08 87.73 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.266 174.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 88.0 mt -61.37 -46.68 96.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 178.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.23 -53.47 43.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.178 177.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.85 -37.83 83.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.234 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . . . . . . . . . 75.1 mt -63.88 -46.36 94.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 178.092 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 68.7 t -62.03 -45.67 98.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.223 -179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -61.96 -41.54 98.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.177 178.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.46 -50.55 73.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.261 174.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.62 -39.95 90.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 -179.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.52 -42.46 82.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.231 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.0 -36.49 80.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 178.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 96.5 mt -65.84 -48.22 82.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.8 -41.35 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.225 -176.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.78 -39.23 93.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.222 175.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.17 -39.06 93.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.19 176.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.98 -44.55 38.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.191 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.99 -46.63 80.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 176.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.12 -42.23 98.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.183 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.9 mt -67.71 -51.77 47.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 -176.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.45 -43.35 94.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.188 -176.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.95 -41.71 99.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.166 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASN . . . . . . . . . . . . . 87.5 m-20 -61.94 -41.96 98.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.209 176.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.56 -39.46 93.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.15 177.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.02 -39.57 90.25 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.275 176.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.94 -37.39 85.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.182 177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ILE . . . . . . . . . . . . . 82.9 mt -61.47 -42.53 94.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.224 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' VAL . . . . . . . . . . . . . 54.9 t -59.95 -45.43 95.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.243 176.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.25 -39.01 93.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.167 177.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -57.89 -45.33 86.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.38 -36.03 77.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 70.4 ttp85 -59.67 -45.78 91.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.216 175.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.83 -36.94 77.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.206 177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ILE . . . . . . . . . . . . . 81.1 mt -62.64 -41.87 93.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 176.327 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ILE . . . . . . . . . . . . . 94.5 mt -59.51 -43.53 90.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.125 177.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.18 -39.84 87.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.193 177.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.02 -43.71 98.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 174.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 94.4 mt -64.28 -40.46 96.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.25 178.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -64.97 -37.21 86.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.128 178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.72 -36.67 77.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.171 177.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ILE . . . . . . . . . . . . . 40.1 mm -74.13 -40.09 50.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.214 177.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.81 41.27 0.86 Allowed Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 175.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 56.1 t -67.17 140.17 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 0.0 111.178 169.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -41.5 127.3 3.02 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.143 178.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -59.7 -34.88 73.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.26 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.25 -47.97 80.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.226 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.72 -43.56 97.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.257 177.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' LEU . . . . . . . . . . . . . 91.2 mt -66.37 -45.49 79.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.189 -175.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.78 -37.1 86.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.185 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.65 -45.74 85.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.153 175.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.46 -36.69 83.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.226 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -59.33 -40.99 88.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.178 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.08 -44.82 87.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.154 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' GLN . . . . . . . . . . . . . 95.2 mt-30 -56.11 -43.36 78.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.208 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' LEU . . . . . . . . . . . . . 97.8 mt -73.28 -39.28 65.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.144 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.0 -46.48 82.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.141 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.06 -41.44 99.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.23 179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.71 -44.0 87.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.209 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -58.14 -43.73 87.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.07 -46.29 88.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.254 178.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' SER . . . . . . . . . . . . . 43.4 t -59.73 -40.23 87.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' LEU . . . . . . . . . . . . . 77.6 mt -86.5 -0.81 56.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.258 -174.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -60.0 130.54 47.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.187 -177.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -82.33 151.61 26.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.218 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -2.005 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 175.705 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.633 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' SER . . . . . . . . . . . . . 58.0 p -67.2 -17.55 64.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.755 0.312 . . . . 0.0 111.158 -178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' HIS . . . . . . . . . . . . . 42.9 p-80 -66.52 -13.21 60.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.207 -173.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 10.9 mp -68.4 -23.81 64.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.232 174.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.14 -30.45 6.0 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 177.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -76.01 -40.06 54.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.746 0.308 . . . . 0.0 111.113 -175.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.63 -38.0 89.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.236 177.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -66.21 -46.96 75.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.213 -177.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' TYR . . . . . . . . . . . . . 87.8 t80 -55.8 -51.16 68.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 174.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 74.4 m -62.06 -39.62 93.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.238 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.561 HD13 ' C ' ' C' ' 11' ' ' LEU . 3.4 tm? -66.19 -47.65 73.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.238 -176.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -65.35 -36.88 85.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 mmt180 -69.09 -37.73 78.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.178 174.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.1 -43.88 95.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.142 173.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -56.86 -46.26 81.92 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.15 174.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.21 -46.02 75.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.235 177.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ILE . . . . . . . . . . . . . 97.3 mt -61.7 -43.8 97.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 52.8 tp -55.56 -49.41 72.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.188 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -60.34 -40.85 92.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 -179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 -65.6 -39.23 91.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.197 175.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.01 -50.03 75.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.62 -40.6 97.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.25 -175.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -68.25 -41.39 81.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.189 179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -137.39 80.02 34.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.265 -178.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -54.6 134.57 62.79 Favored 'Trans proline' 0 N--CA 1.459 -0.508 0 C-N-CA 121.643 1.562 . . . . 0.0 111.183 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 96.4 p -164.97 156.26 14.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.218 179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -59.02 -38.64 79.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.257 176.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.98 -51.25 70.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.207 179.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -65.38 -34.39 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.234 -177.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ILE . . . . . . . . . . . . . 80.3 mt -63.41 -48.9 85.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.181 177.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.07 -43.68 97.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.255 -179.334 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -65.11 -37.82 88.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.192 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.57 -47.07 87.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.225 174.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 87.8 mt -61.41 -46.63 96.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.197 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -52.17 -53.6 41.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.183 177.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.75 -37.79 82.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.327 -178.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' ILE . . . . . . . . . . . . . 74.3 mt -63.99 -46.29 94.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.22 178.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 69.1 t -62.06 -45.62 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.24 -179.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -61.97 -41.55 98.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 178.423 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' ASN . . . . . . . . . . . . . 40.9 t30 -60.42 -50.52 73.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.272 174.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -60.64 -40.01 90.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.176 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.5 -42.47 82.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.221 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -68.01 -36.47 80.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.231 178.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ILE . . . . . . . . . . . . . 96.3 mt -65.83 -48.17 83.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 178.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' VAL . . . . . . . . . . . . . 47.1 t -58.85 -41.38 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.183 -176.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -63.78 -39.26 93.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.175 175.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.2 -39.09 93.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.152 176.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' ILE . . . . . . . . . . . . . 23.8 mm -51.91 -44.63 38.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -64.9 -46.65 80.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.1 -42.32 98.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 -179.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 93.4 mt -67.69 -51.7 48.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.176 -176.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.54 -43.24 94.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.217 -176.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -41.67 99.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.245 178.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -61.94 -41.98 98.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.203 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -62.46 -39.5 93.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.13 -39.56 90.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 176.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -65.94 -37.32 85.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.243 177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' ILE . . . . . . . . . . . . . 82.8 mt -61.49 -42.52 94.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.197 174.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' VAL . . . . . . . . . . . . . 55.1 t -60.05 -45.32 95.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.214 176.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -64.23 -39.07 93.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.222 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -57.9 -45.24 86.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.193 174.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -60.44 -36.04 77.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.137 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' ARG . . . . . . . . . . . . . 70.5 ttp85 -59.61 -45.87 90.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.216 175.235 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.8 -36.87 77.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.245 177.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' ILE . . . . . . . . . . . . . 81.4 mt -62.62 -41.91 93.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 176.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' ILE . . . . . . . . . . . . . 94.2 mt -59.49 -43.56 90.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 177.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.13 -39.88 87.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.171 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.6 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.135 174.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.31 -40.52 96.09 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -64.94 -37.31 87.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.162 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.81 76.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.235 177.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' ILE . . . . . . . . . . . . . 39.8 mm -74.06 -40.08 51.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.232 177.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' GLY . . . . . . . . . . . . . . . 114.79 41.26 0.86 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.167 -0.773 . . . . 0.0 111.167 175.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' VAL . . . . . . . . . . . . . 55.8 t -67.2 140.21 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 0.0 111.117 169.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 t0 -41.56 127.31 3.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.195 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -59.78 -34.79 73.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.228 -174.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' LYS . . . . . . . . . . . . . 38.7 mtmm -57.27 -47.96 80.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.228 -177.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' ILE . . . . . . . . . . . . . 97.4 mt -61.69 -43.64 97.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.255 177.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' LEU . . . . . . . . . . . . . 90.6 mt -66.36 -45.45 80.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.193 -175.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.87 -36.95 86.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.212 -174.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -57.84 -45.57 86.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.172 175.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' MET . . . . . . . . . . . . . 77.7 mtm -66.54 -36.67 83.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.201 -178.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -59.46 -40.9 88.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.141 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' LYS . . . . . . . . . . . . . 26.8 tptp -65.01 -44.9 87.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 177.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -56.1 -43.43 78.06 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' LEU . . . . . . . . . . . . . 97.9 mt -73.14 -39.29 65.84 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.193 -176.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -57.02 -46.52 82.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.169 177.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.07 -41.41 99.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.25 179.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' LEU . . . . . . . . . . . . . 67.7 mt -65.66 -44.04 87.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.218 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 90' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -58.12 -43.7 87.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.267 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 91' ' ' ARG . . . . . . . . . . . . . 24.4 tpp180 -63.03 -46.49 87.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.203 177.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 92' ' ' SER . . . . . . . . . . . . . 43.2 t -59.59 -40.22 86.72 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.242 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 93' ' ' LEU . . . . . . . . . . . . . 77.9 mt -86.51 -0.84 56.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.189 -174.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 94' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -59.97 130.6 47.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.185 -177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 95' ' ' ARG . . . . . . . . . . . . . 41.3 ptt180 -82.38 151.55 26.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.153 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.2 -1.993 0 N-CA-C 111.251 -0.74 . . . . 0.0 111.251 175.59 . . . . . . . . 0 0 . 1 stop_ save_