data_2lhg_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2lhg _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.767 0.317 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.51 -32.14 71.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 172.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.9 -20.45 66.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.95 -50.69 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -68.09 -26.89 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.41 -40.83 73.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.237 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -71.0 -31.89 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -48.31 76.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.27 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.436 ' HB ' ' CE1' ' A' ' 29' ' ' TYR . 38.8 pt -74.95 -20.07 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.33 -46.64 76.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 173.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.7 -36.7 85.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.35 -48.62 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.8 p -70.55 -25.56 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.252 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -75.99 -35.24 59.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 173.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.98 -18.51 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.2 23.77 43.17 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -95.77 80.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.71 93.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.6 -50.22 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -83.27 -28.74 28.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.436 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 84.1 t80 -52.76 -40.15 62.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 173.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -93.83 -29.72 15.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.202 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -99.65 -60.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 -172.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -54.06 -60.06 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 -168.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.3 mm -74.76 -30.04 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.208 -171.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.25 66.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.27 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -95.06 22.09 7.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.243 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.54 138.2 35.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -104.96 -44.85 4.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.5 p -122.96 170.85 9.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -66.5 -24.3 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -73.9 -35.16 64.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.246 172.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.59 -40.1 97.41 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 169.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.7 -42.46 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -65.38 -33.18 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.1 m -65.04 -43.54 92.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 171.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -66.13 -30.02 70.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HA ' HD13 ' A' ' 49' ' ' ILE . 88.3 tttt -54.01 -44.08 70.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.71 -35.55 79.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.217 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.91 -32.69 74.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 46' ' ' LYS . 93.6 mt -59.62 -45.32 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.205 178.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.12 -33.99 77.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.9 m -63.38 -39.97 95.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.529 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.853 0.359 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -57.91 -56.71 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.05 -34.73 78.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.282 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.46 -41.63 98.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.19 -41.49 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.25 -39.57 87.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -75.53 -50.92 14.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.223 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.5 -34.65 78.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -66.63 -50.82 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.19 -37.24 34.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -55.72 -51.67 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.1 mt -69.41 -34.13 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.33 -39.04 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.66 -35.93 73.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.234 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.55 71.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.02 20.47 13.96 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.409 HG22 ' H ' ' A' ' 28' ' ' LYS . 88.2 mt -104.93 111.28 33.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.805 0.336 . . . . 0.0 111.259 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.48 -16.57 24.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.218 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -77.32 -46.65 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' H ' HG22 ' A' ' 25' ' ' ILE . 71.6 mmtt -78.6 -41.13 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 -164.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -60.83 -33.29 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -80.91 -38.31 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -91.19 -57.62 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.05 -56.97 14.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 -176.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 94.8 mt -96.14 -54.9 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 -163.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.56 -26.37 61.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -104.82 28.11 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.37 153.25 31.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -101.23 -33.29 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.0 p -121.79 154.65 36.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 p -76.01 -24.78 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.54 -34.36 72.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.255 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.34 -46.17 94.3 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.16 -40.0 87.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.9 m0 -55.28 -44.18 75.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.5 m -65.93 -40.02 91.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -59.41 -29.22 67.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 -177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -53.49 -40.23 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 176.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.4 -37.73 87.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -71.31 -41.49 69.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.274 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.1 pt -82.87 -12.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -175.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.39 -52.75 64.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 170.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -61.08 -40.02 92.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 179.64 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 tp . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.864 0.364 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.65 -42.56 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.08 -41.25 92.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.17 -54.43 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -66.86 -23.72 66.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.214 -172.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -52.69 -49.68 64.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.282 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -82.27 -34.08 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.283 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.35 87.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.99 -40.26 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.241 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.64 -35.91 77.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.246 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.36 -33.4 65.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 29' ' ' TYR . 77.5 mt -65.85 -35.64 81.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 175.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.27 -47.39 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.74 -39.76 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.99 -33.55 70.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.01 36.94 10.49 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.0 mt -97.77 81.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 111.163 -176.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.75 98.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.172 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -54.01 -55.94 22.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.235 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -78.75 -16.66 56.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 -176.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.43 ' HA ' HD13 ' A' ' 20' ' ' LEU . 83.0 t80 -64.8 -40.97 96.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -95.53 -32.42 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -99.13 -60.6 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 -169.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.1 tp -68.41 -57.68 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.233 -166.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.57 -24.64 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.77 -25.43 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.157 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -95.28 7.53 45.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.78 134.97 55.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.256 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -112.36 -24.97 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.2 -174.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.1 t -160.07 176.93 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 m -75.15 -25.99 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -171.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -69.14 -39.65 78.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.187 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.27 -42.86 97.66 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.58 -40.67 89.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 111.244 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -60.55 -39.95 89.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.225 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.1 m -62.24 -40.1 95.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -60.99 -37.19 81.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -58.07 -43.67 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.77 -34.82 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.192 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -70.99 -30.57 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -40.45 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.186 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.0 -43.26 99.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.197 172.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.1 m -59.47 -41.88 90.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.274 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.4 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 176.64 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.41 -42.92 78.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 -175.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -63.56 -55.02 27.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.82 -31.42 72.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.211 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -64.97 -59.99 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.83 -34.81 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.22 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -58.8 -52.71 64.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.239 174.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.53 -35.73 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.26 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.06 -46.06 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -63.97 -32.92 74.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.224 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.88 -36.8 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.37 -29.74 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.185 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.25 -44.38 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 172.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.13 -35.28 77.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.64 -29.98 66.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.265 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.79 32.75 14.2 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.4 mm -106.3 98.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 111.191 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.89 -40.75 62.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 -174.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.13 -49.86 72.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.168 -177.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -82.63 -27.12 31.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -175.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -48.45 -40.43 26.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.178 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -100.99 -68.11 0.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -55.08 -52.08 64.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -166.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.82 -60.5 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.196 -170.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.0 mt -76.25 -29.74 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.194 -169.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.96 -24.48 67.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -90.89 2.13 56.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 134.56 54.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.218 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -110.5 -25.15 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.3 p -133.55 167.57 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.257 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 p -72.69 -21.97 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.199 172.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.68 -35.49 77.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.03 -44.12 96.48 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 169.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.72 -38.27 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 0.0 111.177 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -56.64 -41.02 76.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.9 m -66.38 -40.02 89.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 174.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -63.71 -29.39 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -51.95 -47.91 64.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -70.09 -31.84 69.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.286 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -64.95 -35.8 82.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.89 -44.9 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -53.59 -40.04 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.233 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 83.6 m -58.12 -41.42 83.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -178.279 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.835 0.35 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.13 -59.18 5.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.245 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.06 -30.32 71.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.67 97.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 36' ' ' ALA . 97.6 mttt -67.36 -40.19 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 176.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.5 -46.42 90.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.235 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -74.52 -35.06 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.267 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.26 80.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.59 -44.14 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.84 -39.78 86.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.216 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.93 -40.53 72.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.12 -43.77 90.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.26 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.3 -46.58 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 177.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.63 -33.17 74.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.56 -27.18 66.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.62 21.53 21.36 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.7 mt -97.58 85.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 111.19 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.4 -31.86 73.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -171.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -70.36 -49.63 47.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -171.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -82.05 -32.35 30.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -162.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -66.65 -23.07 66.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -175.189 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -96.53 -46.1 6.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -97.35 -61.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -173.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.68 -60.13 4.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.246 -166.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 tp -63.91 -29.75 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 -173.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.55 63.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -102.2 8.32 40.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.274 -174.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.425 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . . . -65.23 142.62 58.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.187 176.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -103.54 -12.33 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -171.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.3 t -159.06 162.5 36.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.267 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -71.82 -19.95 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -175.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.24 -41.24 94.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.58 -34.36 78.63 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.45 -46.92 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.325 . . . . 0.0 111.215 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -64.39 -35.83 82.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 83.1 m -61.47 -40.7 95.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -66.0 -31.84 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.257 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.76 -39.94 95.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 172.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.94 -34.9 79.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.55 -33.83 76.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.75 -43.3 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.229 173.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.89 -36.12 76.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.1 p -88.02 -20.88 25.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.253 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.8 t80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 175.234 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.714 0.292 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.32 -40.1 89.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.211 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -68.23 -40.07 82.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.216 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.93 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.281 176.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.7 -48.45 81.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.76 -36.7 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.201 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.99 -50.72 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.18 69.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.143 -177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.85 -49.33 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.284 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.77 -27.99 66.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.213 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.432 ' HB3' HG21 ' A' ' 49' ' ' ILE . 74.2 mm-40 -72.62 -34.13 67.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.255 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.67 -34.59 77.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.23 -44.47 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 172.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.51 -37.03 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.6 -30.78 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 174.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.09 31.31 28.97 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.2 mm -108.53 98.91 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 111.216 -175.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.91 -43.63 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.267 -173.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.32 -49.19 75.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.243 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -75.99 -23.52 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -55.28 -36.15 65.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 172.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -101.57 -24.95 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -176.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -98.2 -59.77 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.318 -176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.2 tp -64.55 -60.57 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 -168.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 33' ' ' ILE . 5.6 tp -71.21 -21.01 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -172.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.58 -24.76 67.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -96.8 14.68 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.55 119.09 9.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.227 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -116.67 -46.9 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.7 p -117.24 164.54 14.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.229 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.63 -24.16 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -73.59 -36.67 65.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.316 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.21 -40.6 99.27 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 170.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.58 -40.1 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 111.21 175.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -62.84 -39.76 95.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.255 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.2 m -61.32 -40.26 93.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 172.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -65.0 -36.88 85.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.97 -34.37 76.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.54 -34.64 78.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.222 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -71.63 -39.67 70.27 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.22 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.432 HG21 ' HB3' ' A' ' 19' ' ' GLU . 81.6 mt -62.01 -37.91 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -50.37 -43.59 54.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.5 m -70.52 -38.21 74.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -176.27 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.3 tp . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.744 0.307 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.19 -28.86 68.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -89.69 -36.26 15.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.246 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.45 -36.92 77.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -63.36 -20.74 65.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.67 -24.55 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -64.3 -52.09 60.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.45 -37.89 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.33 -39.64 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.145 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -51.44 -44.68 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.189 174.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -76.05 -32.49 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.252 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 29' ' ' TYR . 80.8 mt -64.95 -37.63 88.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.249 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.9 t -76.24 -43.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.237 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -62.04 -39.73 93.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.283 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.01 -29.68 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.249 175.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.26 42.34 9.45 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -107.96 93.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.718 0.294 . . . . 0.0 111.31 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.74 85.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -51.07 -49.53 60.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -82.45 -25.32 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.223 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.429 ' HA ' HD13 ' A' ' 20' ' ' LEU . 76.1 t80 -56.39 -40.13 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.186 174.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -94.68 -30.94 14.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -97.72 -59.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -172.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.94 -58.04 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -168.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 33' ' ' ILE . 10.4 tp -67.43 -21.43 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -173.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.33 -24.54 67.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -95.86 10.49 37.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.222 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.69 82.71 2.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.248 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.15 -32.09 72.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.172 -177.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.4 p -129.13 169.11 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.277 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -73.26 -20.86 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 175.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.43 -34.45 65.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.246 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.44 -41.59 99.76 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 170.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.8 t -57.94 -45.63 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.323 . . . . 0.0 111.248 174.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -57.2 -46.88 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 83.1 m -59.56 -39.89 85.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -72.48 -27.83 62.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -176.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.44 -44.12 95.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 168.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.84 -32.06 73.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -65.97 -56.07 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.3 tp -65.1 -27.76 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.235 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.25 -49.47 76.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.268 172.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.6 m -62.51 -40.12 95.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.202 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.598 ' O ' HD21 ' A' ' 9' ' ' LEU . 4.8 tt . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.835 0.35 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.07 -49.94 72.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -70.7 -47.98 57.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.146 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.33 71.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.196 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.2 -50.67 72.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.198 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.27 -34.38 78.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HB3' ' HD2' ' A' ' 46' ' ' LYS . 75.6 mm-40 -63.62 -41.92 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.231 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.88 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.271 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' A' ' 20' ' ' LEU . 82.5 mt -62.59 -34.8 67.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.187 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -57.57 -38.6 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 174.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.54 -30.32 33.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.205 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 17' ' ' ILE . 71.2 mt -65.62 -41.08 93.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -76.06 -29.45 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.36 -34.62 68.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.153 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.19 86.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.233 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.02 10.08 79.26 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.9 mt -95.09 99.04 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.701 0.286 . . . . 0.0 111.19 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.07 -34.64 78.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.255 -172.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.45 -53.45 51.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -79.29 -24.85 42.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 -174.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -53.24 -35.83 60.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -106.35 -32.3 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.246 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -80.06 -58.97 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.0 tp -55.21 -51.06 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 -172.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.5 tp -65.44 -24.63 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.0 -12.42 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.84 18.41 13.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.46 133.65 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -115.08 -22.38 9.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.9 p -131.38 164.2 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.178 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.01 -24.5 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 174.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -72.66 -40.58 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.24 97.87 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 175.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.01 -48.69 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.754 0.311 . . . . 0.0 111.182 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -68.25 -47.27 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.24 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 m -61.93 -32.32 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.182 -173.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -61.21 -25.18 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HD2' ' HB3' ' A' ' 15' ' ' GLU . 87.7 tttt -55.1 -35.87 65.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -94.55 -19.68 20.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.269 -177.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.04 -42.68 89.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.81 -26.3 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.31 -43.72 97.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.267 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -65.27 -40.44 93.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 173.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 179.47 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.802 0.334 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.55 -32.53 58.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -56.58 -50.16 72.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.272 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.96 92.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -56.1 -48.85 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.89 -34.95 74.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -68.37 -34.74 76.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.69 -48.29 75.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.0 pt -74.7 -22.93 17.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.84 -47.74 76.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 172.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.03 -31.33 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.2 mt -64.97 -42.01 94.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 177.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.82 -40.75 89.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.02 -35.07 79.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.42 -17.95 37.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.216 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.77 27.57 45.93 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -95.42 83.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.747 0.308 . . . . 0.0 111.215 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.03 -43.57 78.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -175.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.13 -47.76 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.184 -175.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -81.96 -29.89 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -54.8 -44.81 74.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.254 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -85.26 -39.96 17.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -97.55 -60.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 -169.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 tp -57.7 -53.36 59.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -166.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.7 mm -72.34 -31.25 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -174.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.52 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.289 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.02 5.95 50.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.169 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.8 136.71 58.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -102.3 -45.31 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.3 p -128.06 168.23 15.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.193 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.66 -25.68 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.49 -34.7 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.37 -44.0 98.05 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 170.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.22 -40.38 88.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.832 0.349 . . . . 0.0 111.203 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.73 -34.36 77.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.239 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 m -66.94 -39.96 87.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.03 -26.44 68.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.122 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.07 -18.1 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -94.76 -26.89 16.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -69.88 -32.19 70.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.244 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.3 tt -64.56 -20.16 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -66.41 -20.05 65.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.8 p -108.18 -16.94 14.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.247 175.055 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.0 tp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.842 0.354 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -60.11 -52.68 64.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.25 -35.17 80.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.11 95.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.245 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.1 -39.85 95.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.183 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.23 -43.22 92.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -73.64 -32.74 64.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.75 98.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.1 pt -86.79 -11.21 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.249 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.91 -38.48 91.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 169.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -62.91 -34.74 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.94 -32.1 71.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 176.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.97 -43.38 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.179 173.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -66.2 -35.35 80.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.56 -29.12 64.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.45 27.7 38.56 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.5 mt -101.92 115.74 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 111.193 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.35 -14.21 31.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.228 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.93 -46.78 28.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -173.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -79.32 -34.87 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -163.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 1.2 p90 -66.96 -17.68 65.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -97.56 -43.38 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.257 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.03 -59.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.226 -173.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.9 tp -56.4 -58.6 7.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.265 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 tp -63.87 -26.44 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.15 -26.32 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -75.14 -14.11 60.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 136.44 56.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -114.15 -20.45 10.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.265 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.6 p -133.34 164.92 26.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -66.37 -23.74 32.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.74 -36.35 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.1 -38.14 95.57 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.53 -42.37 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.159 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.6 m0 -59.55 -45.4 91.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.9 m -62.92 -42.12 99.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -61.43 -44.87 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -60.37 -36.89 79.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.075 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -57.67 -45.31 85.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -71.9 -34.42 69.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.233 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.29 -37.56 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -52.69 -47.55 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 172.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.9 m -57.76 -41.14 81.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 174.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.256 177.601 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' LYS . 94.9 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.4 m -53.15 -52.1 59.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.199 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -73.01 -14.81 61.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -84.01 -23.99 30.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.7 mt -91.06 -31.93 16.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.8 mt -114.0 115.51 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.229 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.43 -29.75 70.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -64.51 -26.56 68.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.196 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -96.3 -19.4 19.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.51 -32.14 71.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 172.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.9 -20.45 66.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.95 -50.69 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -68.09 -26.89 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.41 -40.83 73.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.237 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -71.0 -31.89 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -48.31 76.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.27 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.436 ' HB ' ' CE1' ' A' ' 29' ' ' TYR . 38.8 pt -74.95 -20.07 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.33 -46.64 76.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 173.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.7 -36.7 85.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.35 -48.62 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.8 p -70.55 -25.56 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.252 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -75.99 -35.24 59.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 173.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.98 -18.51 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.2 23.77 43.17 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -95.77 80.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.71 93.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.6 -50.22 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -83.27 -28.74 28.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.436 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 84.1 t80 -52.76 -40.15 62.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 173.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -93.83 -29.72 15.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.202 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -99.65 -60.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 -172.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -54.06 -60.06 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 -168.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.3 mm -74.76 -30.04 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.208 -171.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.25 66.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.27 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -95.06 22.09 7.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.243 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.54 138.2 35.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 1' ' ' THR . 98.2 mttt -104.96 -44.85 4.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.5 p -122.96 170.85 9.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -66.5 -24.3 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -73.9 -35.16 64.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.246 172.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.59 -40.1 97.41 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 169.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.7 -42.46 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -65.38 -33.18 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.1 m -65.04 -43.54 92.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 171.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -66.13 -30.02 70.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HA ' HD13 ' A' ' 49' ' ' ILE . 88.3 tttt -54.01 -44.08 70.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.71 -35.55 79.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.217 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.91 -32.69 74.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.403 HD13 ' HA ' ' A' ' 46' ' ' LYS . 93.6 mt -59.62 -45.32 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.205 178.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.12 -33.99 77.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.9 m -63.38 -39.97 95.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -82.81 -25.24 32.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.6 m -70.02 -44.76 68.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.6 t -81.49 114.19 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.5 p -120.03 -15.11 8.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.824 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 71.5 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.794 0.33 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.5 m -57.24 -38.66 74.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 3.3 m-30 -58.35 -31.35 67.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.177 -176.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -90.36 -4.91 56.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.2 mt -94.46 -12.81 27.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.146 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.4 mt -83.92 114.22 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 -176.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.31 -24.26 34.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -80.13 114.06 18.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.8 tp -55.38 -38.64 69.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -57.91 -56.71 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.05 -34.73 78.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.282 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.46 -41.63 98.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.19 -41.49 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 176.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.25 -39.57 87.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -75.53 -50.92 14.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.223 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.5 -34.65 78.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -66.63 -50.82 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.19 -37.24 34.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -55.72 -51.67 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.1 mt -69.41 -34.13 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.33 -39.04 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.66 -35.93 73.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.234 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.55 71.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.02 20.47 13.96 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.409 HG22 ' H ' ' A' ' 28' ' ' LYS . 88.2 mt -104.93 111.28 33.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.805 0.336 . . . . 0.0 111.259 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.48 -16.57 24.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.218 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -77.32 -46.65 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' H ' HG22 ' A' ' 25' ' ' ILE . 71.6 mmtt -78.6 -41.13 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 -164.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -60.83 -33.29 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -80.91 -38.31 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -91.19 -57.62 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.05 -56.97 14.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 -176.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 94.8 mt -96.14 -54.9 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 -163.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.56 -26.37 61.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -104.82 28.11 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -78.37 153.25 31.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 176.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -101.23 -33.29 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.0 p -121.79 154.65 36.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 p -76.01 -24.78 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.54 -34.36 72.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.255 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.34 -46.17 94.3 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.16 -40.0 87.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.9 m0 -55.28 -44.18 75.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.5 m -65.93 -40.02 91.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -59.41 -29.22 67.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 -177.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.2 tmtt? -53.49 -40.23 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 176.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.4 -37.73 87.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -71.31 -41.49 69.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.274 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 36.1 pt -82.87 -12.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -175.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.39 -52.75 64.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 170.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -61.08 -40.02 92.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -56.51 -44.91 81.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 79.3 m -63.58 -40.28 96.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.209 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.89 -40.59 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.213 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.0 p -81.87 -20.01 39.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.218 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.12 176.647 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.749 0.309 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.6 m -57.64 124.58 19.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.292 177.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -64.6 -24.01 67.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.26 -171.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.67 -22.67 62.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 176.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.2 mt -103.71 -29.26 11.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 -174.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -83.45 127.41 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.9 tp -82.99 -56.76 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -96.97 148.81 22.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 -170.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.51 -46.9 85.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 176.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.65 -42.56 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.08 -41.25 92.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.17 -54.43 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -66.86 -23.72 66.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.214 -172.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -52.69 -49.68 64.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.282 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -82.27 -34.08 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.283 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.35 87.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.99 -40.26 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.241 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.64 -35.91 77.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.246 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.36 -33.4 65.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.43 HD13 ' HA ' ' A' ' 29' ' ' TYR . 77.5 mt -65.85 -35.64 81.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 175.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.27 -47.39 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.74 -39.76 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.99 -33.55 70.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.01 36.94 10.49 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.0 mt -97.77 81.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 111.163 -176.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.75 98.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.172 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -54.01 -55.94 22.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.235 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -78.75 -16.66 56.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 -176.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.43 ' HA ' HD13 ' A' ' 20' ' ' LEU . 83.0 t80 -64.8 -40.97 96.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -95.53 -32.42 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -99.13 -60.6 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 -169.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.1 tp -68.41 -57.68 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.233 -166.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.57 -24.64 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.77 -25.43 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.157 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -95.28 7.53 45.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.78 134.97 55.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.256 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -112.36 -24.97 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.2 -174.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.1 t -160.07 176.93 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 m -75.15 -25.99 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -171.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -69.14 -39.65 78.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.187 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.27 -42.86 97.66 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.58 -40.67 89.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 111.244 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -60.55 -39.95 89.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.225 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.1 m -62.24 -40.1 95.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -60.99 -37.19 81.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -58.07 -43.67 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.77 -34.82 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.192 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -70.99 -30.57 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -40.45 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.186 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.0 -43.26 99.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.197 172.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.1 m -59.47 -41.88 90.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.274 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 56' ' ' GLU . 75.4 t80 -55.21 -49.84 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 176.64 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.0 m -58.96 -40.76 85.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.209 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.7 t -65.71 -40.66 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 56' ' ' GLU . 81.0 p -93.41 -7.4 44.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -175.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 55' ' ' THR . 88.8 tt0 . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.185 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.842 0.353 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.6 m -53.87 -48.13 70.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 15' ' ' GLU . 18.4 m-30 -89.96 -21.13 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.209 -177.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -72.23 -16.43 61.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.4 mt -92.46 -4.96 52.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.7 mt -91.95 111.71 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.178 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -79.86 -23.71 41.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -74.96 118.87 18.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.211 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.78 -53.21 60.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.41 -42.92 78.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 -175.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -63.56 -55.02 27.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.82 -31.42 72.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.211 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -64.97 -59.99 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.83 -34.81 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.22 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 55.3 mm-40 -58.8 -52.71 64.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.239 174.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.53 -35.73 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.26 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.06 -46.06 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -63.97 -32.92 74.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.224 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.88 -36.8 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.37 -29.74 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.185 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.25 -44.38 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 172.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.13 -35.28 77.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.64 -29.98 66.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.265 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.79 32.75 14.2 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 36.4 mm -106.3 98.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 111.191 -176.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.89 -40.75 62.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 -174.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.13 -49.86 72.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.168 -177.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.3 mmtt -82.63 -27.12 31.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -175.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -48.45 -40.43 26.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.178 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -100.99 -68.11 0.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -55.08 -52.08 64.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -166.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.82 -60.5 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.196 -170.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.0 mt -76.25 -29.74 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.194 -169.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.96 -24.48 67.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -90.89 2.13 56.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 134.56 54.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.218 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -110.5 -25.15 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.3 p -133.55 167.57 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.257 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 p -72.69 -21.97 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.199 172.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.68 -35.49 77.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.03 -44.12 96.48 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 169.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.72 -38.27 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 0.0 111.177 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -56.64 -41.02 76.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.9 m -66.38 -40.02 89.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 174.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -63.71 -29.39 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -51.95 -47.91 64.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -70.09 -31.84 69.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.286 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -64.95 -35.8 82.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.89 -44.9 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -53.59 -40.04 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.233 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 83.6 m -58.12 -41.42 83.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -77.2 -28.2 53.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.3 m -65.01 -40.73 95.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.259 173.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.9 t -68.59 -41.21 82.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.201 175.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.0 m -58.36 -45.01 89.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.201 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.113 179.198 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.702 0.287 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.1 p -105.34 4.56 31.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.209 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -114.48 165.67 12.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.199 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.9 -29.95 70.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.24 173.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.402 HD13 ' HB2' ' A' ' 43' ' ' TRP . 39.2 tp -89.59 125.89 35.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.319 176.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.08 124.92 18.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.217 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.4 mt -80.42 -21.6 42.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 -173.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -84.69 111.42 19.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 174.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.4 tp -52.78 -37.3 59.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.191 -175.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.13 -59.18 5.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.245 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.06 -30.32 71.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.67 97.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HE2' ' HB3' ' A' ' 36' ' ' ALA . 97.6 mttt -67.36 -40.19 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 176.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.5 -46.42 90.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.235 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -74.52 -35.06 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.267 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.26 80.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.59 -44.14 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.84 -39.78 86.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.216 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.93 -40.53 72.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.12 -43.77 90.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.26 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.3 -46.58 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 177.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.63 -33.17 74.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.56 -27.18 66.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.62 21.53 21.36 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 68.7 mt -97.58 85.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 111.19 -175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.4 -31.86 73.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -171.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -70.36 -49.63 47.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -171.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -82.05 -32.35 30.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -162.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -66.65 -23.07 66.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -175.189 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -96.53 -46.1 6.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -97.35 -61.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -173.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.68 -60.13 4.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.246 -166.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 tp -63.91 -29.75 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 -173.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.55 63.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -102.2 8.32 40.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.274 -174.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.425 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . . . -65.23 142.62 58.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.187 176.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -103.54 -12.33 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -171.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.3 t -159.06 162.5 36.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.267 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -71.82 -19.95 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -175.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.24 -41.24 94.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.58 -34.36 78.63 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.45 -46.92 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.325 . . . . 0.0 111.215 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.402 ' HB2' HD13 ' A' ' 5' ' ' LEU . 51.9 t-105 -64.39 -35.83 82.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 83.1 m -61.47 -40.7 95.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -66.0 -31.84 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.257 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.76 -39.94 95.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 172.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.94 -34.9 79.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.55 -33.83 76.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.75 -43.3 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.229 173.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.89 -36.12 76.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.1 p -88.02 -20.88 25.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.253 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' GLU . 88.8 t80 -63.35 -51.53 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 175.234 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.5 p -65.42 -21.52 66.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.215 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.0 t -75.61 -42.47 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.252 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.0 p -93.91 0.84 56.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 -177.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' PHE . 88.4 tt0 . . . . . 0 C--O 1.201 -1.475 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.166 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 120.832 0.349 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.7 p -76.69 -13.76 60.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -57.48 -49.31 76.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.248 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -79.67 -23.31 42.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.259 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.7 mt -76.71 -32.78 58.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.3 mt -120.91 116.13 48.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.11 -27.77 68.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.232 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.79 -29.15 70.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.25 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 mp -76.18 -29.35 57.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.32 -40.1 89.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.211 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -68.23 -40.07 82.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.216 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.93 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.281 176.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.7 -48.45 81.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.76 -36.7 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.201 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.99 -50.72 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.18 69.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.143 -177.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.1 mt -61.85 -49.33 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.284 175.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.77 -27.99 66.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.213 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.432 ' HB3' HG21 ' A' ' 49' ' ' ILE . 74.2 mm-40 -72.62 -34.13 67.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.255 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.67 -34.59 77.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.23 -44.47 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 172.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.51 -37.03 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.6 -30.78 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 174.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.09 31.31 28.97 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 38.2 mm -108.53 98.91 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 111.216 -175.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.91 -43.63 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.267 -173.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.32 -49.19 75.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.243 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -75.99 -23.52 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -177.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -55.28 -36.15 65.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 172.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -101.57 -24.95 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -176.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -98.2 -59.77 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.318 -176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.2 tp -64.55 -60.57 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 -168.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.4 ' HA ' HD13 ' A' ' 33' ' ' ILE . 5.6 tp -71.21 -21.01 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -172.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.58 -24.76 67.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -96.8 14.68 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.55 119.09 9.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.227 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -116.67 -46.9 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.7 p -117.24 164.54 14.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.229 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.63 -24.16 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -73.59 -36.67 65.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.316 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.21 -40.6 99.27 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 170.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.58 -40.1 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 111.21 175.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -62.84 -39.76 95.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.255 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.2 m -61.32 -40.26 93.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 172.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -65.0 -36.88 85.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.97 -34.37 76.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.54 -34.64 78.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.222 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -71.63 -39.67 70.27 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.22 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.432 HG21 ' HB3' ' A' ' 19' ' ' GLU . 81.6 mt -62.01 -37.91 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -50.37 -43.59 54.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.5 m -70.52 -38.21 74.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -60.34 -34.29 73.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.9 p -76.81 -18.01 58.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.6 t -82.44 -44.09 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 174.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.4 m -69.53 -42.2 74.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -178.296 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 86.0 m . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 120.786 0.327 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 96.0 m -55.42 -48.42 74.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.246 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -69.91 -19.51 63.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -79.4 -31.42 42.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.8 mt -90.71 -23.62 20.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 81.8 mt -112.9 113.84 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.8 mt -92.64 -14.2 28.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.177 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -77.09 112.1 13.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.247 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.3 tp -54.47 -40.12 68.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -176.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.19 -28.86 68.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -89.69 -36.26 15.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.246 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.45 -36.92 77.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -63.36 -20.74 65.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.67 -24.55 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -64.3 -52.09 60.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.45 -37.89 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.33 -39.64 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.145 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -51.44 -44.68 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.189 174.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -76.05 -32.49 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.252 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.429 HD13 ' HA ' ' A' ' 29' ' ' TYR . 80.8 mt -64.95 -37.63 88.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.249 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.9 t -76.24 -43.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.237 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -62.04 -39.73 93.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.283 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.01 -29.68 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.249 175.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.26 42.34 9.45 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -107.96 93.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.718 0.294 . . . . 0.0 111.31 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.74 85.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -51.07 -49.53 60.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -82.45 -25.32 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.223 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.429 ' HA ' HD13 ' A' ' 20' ' ' LEU . 76.1 t80 -56.39 -40.13 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.186 174.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -94.68 -30.94 14.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -97.72 -59.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -172.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.94 -58.04 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -168.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.409 HD13 ' HA ' ' A' ' 33' ' ' ILE . 10.4 tp -67.43 -21.43 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -173.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.33 -24.54 67.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -95.86 10.49 37.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.222 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.69 82.71 2.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.248 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.15 -32.09 72.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.172 -177.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.4 p -129.13 169.11 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.277 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -73.26 -20.86 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 175.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.43 -34.45 65.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.246 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.44 -41.59 99.76 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 170.27 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.8 t -57.94 -45.63 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.323 . . . . 0.0 111.248 174.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -57.2 -46.88 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 83.1 m -59.56 -39.89 85.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -72.48 -27.83 62.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -176.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.44 -44.12 95.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 168.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.84 -32.06 73.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -65.97 -56.07 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.3 tp -65.1 -27.76 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.235 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.25 -49.47 76.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.268 172.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.6 m -62.51 -40.12 95.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -59.26 -43.93 92.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.1 m -64.36 -39.87 94.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.25 -39.77 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.9 p -86.63 -15.16 40.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.2 -1.544 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 177.754 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 80.2 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.729 0.3 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.6 m -97.43 125.02 41.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.234 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -107.92 2.86 23.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -172.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.78 166.56 15.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 177.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.0 tp -55.86 119.78 6.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.173 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.6 mm -104.31 128.25 57.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.238 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.6 mt -87.05 159.12 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -52.18 134.7 32.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.256 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.598 ' O ' HD21 ' A' ' 9' ' ' LEU . 4.8 tt -43.7 -44.54 6.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.255 -172.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.07 -49.94 72.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -70.7 -47.98 57.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.146 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.33 71.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.196 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.2 -50.67 72.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.198 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.27 -34.38 78.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.46 ' HB3' ' HD2' ' A' ' 46' ' ' LYS . 75.6 mm-40 -63.62 -41.92 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.231 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.88 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.271 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' A' ' 20' ' ' LEU . 82.5 mt -62.59 -34.8 67.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.187 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -57.57 -38.6 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 174.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.54 -30.32 33.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.205 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 17' ' ' ILE . 71.2 mt -65.62 -41.08 93.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -76.06 -29.45 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.36 -34.62 68.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.153 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.19 86.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.233 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.02 10.08 79.26 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.9 mt -95.09 99.04 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.701 0.286 . . . . 0.0 111.19 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.07 -34.64 78.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.255 -172.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.45 -53.45 51.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -79.29 -24.85 42.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 -174.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -53.24 -35.83 60.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -106.35 -32.3 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.246 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -80.06 -58.97 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.0 tp -55.21 -51.06 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 -172.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.5 tp -65.44 -24.63 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.0 -12.42 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.84 18.41 13.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.46 133.65 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -115.08 -22.38 9.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.9 p -131.38 164.2 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.178 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.01 -24.5 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 174.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -72.66 -40.58 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.24 97.87 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 175.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.01 -48.69 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.754 0.311 . . . . 0.0 111.182 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -68.25 -47.27 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.24 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 m -61.93 -32.32 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.182 -173.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -61.21 -25.18 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.46 ' HD2' ' HB3' ' A' ' 15' ' ' GLU . 87.7 tttt -55.1 -35.87 65.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -94.55 -19.68 20.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.269 -177.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.04 -42.68 89.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.81 -26.3 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.31 -43.72 97.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.267 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -65.27 -40.44 93.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 173.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -60.94 -36.54 79.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.5 m -67.43 -41.47 84.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.248 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.9 t -64.12 -39.97 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.266 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.492 ' O ' ' O ' ' A' ' 56' ' ' GLU . 81.0 p -87.56 -13.6 42.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.492 ' O ' ' O ' ' A' ' 55' ' ' THR . 87.0 tt0 . . . . . 0 C--O 1.201 -1.483 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.247 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.9 0.381 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.7 m -57.44 -34.38 68.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.205 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -62.91 -24.94 68.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.172 -175.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -71.29 -24.39 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -85.39 -6.36 59.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.3 mm -85.44 119.73 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.222 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.5 mt -72.28 -18.9 61.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.276 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -94.75 15.66 17.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 178.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -58.91 -59.76 4.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 177.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.55 -32.53 58.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -56.58 -50.16 72.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.272 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.96 92.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -56.1 -48.85 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.89 -34.95 74.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -68.37 -34.74 76.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.69 -48.29 75.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.0 pt -74.7 -22.93 17.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.84 -47.74 76.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 172.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.03 -31.33 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.2 mt -64.97 -42.01 94.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 177.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.82 -40.75 89.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.02 -35.07 79.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.42 -17.95 37.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.216 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.77 27.57 45.93 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -95.42 83.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.747 0.308 . . . . 0.0 111.215 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.03 -43.57 78.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -175.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.13 -47.76 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.184 -175.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 47.3 mmtm -81.96 -29.89 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -54.8 -44.81 74.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.254 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -85.26 -39.96 17.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -175.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -97.55 -60.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 -169.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 tp -57.7 -53.36 59.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -166.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.7 mm -72.34 -31.25 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -174.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.52 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.289 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.02 5.95 50.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.169 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.8 136.71 58.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -102.3 -45.31 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.3 p -128.06 168.23 15.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.193 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.66 -25.68 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.49 -34.7 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.37 -44.0 98.05 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 170.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.22 -40.38 88.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.832 0.349 . . . . 0.0 111.203 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.73 -34.36 77.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.239 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 m -66.94 -39.96 87.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.03 -26.44 68.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.122 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.07 -18.1 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -94.76 -26.89 16.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -69.88 -32.19 70.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.244 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 15.3 tt -64.56 -20.16 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -66.41 -20.05 65.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.8 p -108.18 -16.94 14.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.7 m-30 -65.87 -34.49 78.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.247 175.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.2 p -72.75 -20.62 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.9 t -77.59 -41.01 28.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.262 173.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.483 ' O ' ' O ' ' A' ' 56' ' ' GLU . 81.0 p -82.15 -15.4 53.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' O ' ' O ' ' A' ' 55' ' ' THR . 86.8 tt0 . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 176.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 68.6 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.83 0.347 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.6 p -89.75 -12.67 38.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -77.81 -29.67 50.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -110.02 89.97 3.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.239 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.18 142.52 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.7 mt -99.4 125.87 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 -176.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.71 -32.07 70.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -70.91 120.72 16.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.0 tp -58.63 -49.1 78.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 -176.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -60.11 -52.68 64.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.25 -35.17 80.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.11 95.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.245 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.1 -39.85 95.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.183 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.23 -43.22 92.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -73.64 -32.74 64.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.75 98.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.1 pt -86.79 -11.21 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.249 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.91 -38.48 91.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 169.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -62.91 -34.74 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.94 -32.1 71.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 176.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.97 -43.38 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.179 173.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -66.2 -35.35 80.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.56 -29.12 64.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.45 27.7 38.56 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.5 mt -101.92 115.74 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 111.193 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.35 -14.21 31.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.228 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.93 -46.78 28.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -173.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -79.32 -34.87 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -163.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 1.2 p90 -66.96 -17.68 65.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -97.56 -43.38 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.257 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.03 -59.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.226 -173.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.9 tp -56.4 -58.6 7.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.265 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 tp -63.87 -26.44 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.15 -26.32 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -75.14 -14.11 60.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 136.44 56.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -114.15 -20.45 10.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.265 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.6 p -133.34 164.92 26.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -66.37 -23.74 32.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.74 -36.35 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.1 -38.14 95.57 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.53 -42.37 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.159 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.6 m0 -59.55 -45.4 91.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.9 m -62.92 -42.12 99.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -61.43 -44.87 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -60.37 -36.89 79.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.075 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -57.67 -45.31 85.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -71.9 -34.42 69.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.233 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 90.4 mt -65.29 -37.56 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -52.69 -47.55 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 172.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.9 m -57.76 -41.14 81.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 174.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 12.9 m-30 -59.38 -43.02 92.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.256 177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.8 m -59.57 -42.86 93.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.14 -41.24 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.227 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -77.76 -20.44 53.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.19 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 . . . . . 0 C--O 1.201 -1.48 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 176.777 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.767 0.317 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.51 -32.14 71.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 172.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.9 -20.45 66.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.95 -50.69 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -68.09 -26.89 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.41 -40.83 73.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.237 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -71.0 -31.89 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -48.31 76.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.27 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.434 ' HB ' ' CE1' ' A' ' 29' ' ' TYR . 38.8 pt -74.95 -20.07 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.33 -46.64 76.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 173.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.7 -36.7 85.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.35 -48.62 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.8 p -70.55 -25.56 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.252 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -75.99 -35.24 59.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 173.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.98 -18.51 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.2 23.77 43.17 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -95.77 80.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.71 93.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.6 -50.22 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -83.27 -28.74 28.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.434 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 84.1 t80 -52.76 -40.15 62.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 173.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -93.83 -29.72 15.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.202 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -99.65 -60.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 -172.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -54.06 -60.06 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 -168.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.3 mm -74.76 -30.04 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.208 -171.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.25 66.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.27 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -95.06 22.09 7.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.243 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.54 138.2 35.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -104.96 -44.85 4.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.5 p -122.96 170.85 9.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -66.5 -24.3 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -73.9 -35.16 64.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.246 172.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.59 -40.1 97.41 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 169.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.7 -42.46 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -65.38 -33.18 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.1 m -65.04 -43.54 92.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 171.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -66.13 -30.02 70.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -54.01 -44.08 70.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.71 -35.55 79.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.217 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.91 -32.69 74.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.6 mt -59.62 -45.32 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.205 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.12 -33.99 77.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.9 m -63.38 -39.97 95.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.529 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.853 0.359 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -57.91 -56.71 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.05 -34.73 78.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.282 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.46 -41.63 98.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 36' ' ' ALA . 97.0 mttt -67.19 -41.49 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 176.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.25 -39.57 87.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -75.53 -50.92 14.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.223 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.5 -34.65 78.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -66.63 -50.82 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.19 -37.24 34.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -55.72 -51.67 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.1 mt -69.41 -34.13 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.33 -39.04 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.66 -35.93 73.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.234 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.55 71.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.02 20.47 13.96 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.432 HG22 ' H ' ' A' ' 28' ' ' LYS . 88.2 mt -104.93 111.28 33.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.805 0.336 . . . . 0.0 111.259 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.48 -16.57 24.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.218 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -77.32 -46.65 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' H ' HG22 ' A' ' 25' ' ' ILE . 71.6 mmtt -78.6 -41.13 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 -164.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -60.83 -33.29 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -80.91 -38.31 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -91.19 -57.62 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.05 -56.97 14.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 -176.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 94.8 mt -96.14 -54.9 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 -163.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.56 -26.37 61.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -104.82 28.11 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.421 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . . . -78.37 153.25 31.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 176.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -101.23 -33.29 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.0 p -121.79 154.65 36.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 p -76.01 -24.78 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.54 -34.36 72.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.255 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.34 -46.17 94.3 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.16 -40.0 87.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.9 m0 -55.28 -44.18 75.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.5 m -65.93 -40.02 91.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -59.41 -29.22 67.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 -177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HA ' HG12 ' A' ' 49' ' ' ILE . 9.2 tmtt? -53.49 -40.23 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 176.262 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.4 -37.73 87.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -71.31 -41.49 69.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.274 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 46' ' ' LYS . 36.1 pt -82.87 -12.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -175.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.39 -52.75 64.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 170.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -61.08 -40.02 92.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 179.64 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 tp . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.864 0.364 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.65 -42.56 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.08 -41.25 92.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.17 -54.43 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -66.86 -23.72 66.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.214 -172.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -52.69 -49.68 64.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.282 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -82.27 -34.08 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.283 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.35 87.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.99 -40.26 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.241 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.64 -35.91 77.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.246 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.36 -33.4 65.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 29' ' ' TYR . 77.5 mt -65.85 -35.64 81.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 175.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.27 -47.39 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.74 -39.76 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.99 -33.55 70.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.01 36.94 10.49 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.0 mt -97.77 81.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 111.163 -176.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.75 98.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.172 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -54.01 -55.94 22.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.235 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -78.75 -16.66 56.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 -176.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.456 ' HA ' HD13 ' A' ' 20' ' ' LEU . 83.0 t80 -64.8 -40.97 96.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -95.53 -32.42 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -99.13 -60.6 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 -169.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.1 tp -68.41 -57.68 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.233 -166.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.57 -24.64 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.77 -25.43 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.157 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -95.28 7.53 45.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.78 134.97 55.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.256 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -112.36 -24.97 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.2 -174.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.1 t -160.07 176.93 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 m -75.15 -25.99 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -171.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -69.14 -39.65 78.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.187 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.27 -42.86 97.66 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.58 -40.67 89.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 111.244 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -60.55 -39.95 89.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.225 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.1 m -62.24 -40.1 95.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -60.99 -37.19 81.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -58.07 -43.67 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.77 -34.82 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.192 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -70.99 -30.57 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -40.45 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.186 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.0 -43.26 99.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.197 172.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.1 m -59.47 -41.88 90.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.274 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.4 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 176.64 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.41 -42.92 78.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 -175.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -63.56 -55.02 27.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.82 -31.42 72.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.211 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -64.97 -59.99 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.83 -34.81 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.22 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -58.8 -52.71 64.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.239 174.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.53 -35.73 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.26 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.06 -46.06 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -63.97 -32.92 74.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.224 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.88 -36.8 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.37 -29.74 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.185 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.25 -44.38 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 172.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.13 -35.28 77.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.64 -29.98 66.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.265 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.79 32.75 14.2 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.405 HG22 ' H ' ' A' ' 28' ' ' LYS . 36.4 mm -106.3 98.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 111.191 -176.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.89 -40.75 62.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 -174.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.13 -49.86 72.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.168 -177.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.405 ' H ' HG22 ' A' ' 25' ' ' ILE . 74.3 mmtt -82.63 -27.12 31.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -175.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -48.45 -40.43 26.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.178 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -100.99 -68.11 0.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -55.08 -52.08 64.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -166.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.82 -60.5 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.196 -170.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.0 mt -76.25 -29.74 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.194 -169.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.96 -24.48 67.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -90.89 2.13 56.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 134.56 54.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.218 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -110.5 -25.15 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.3 p -133.55 167.57 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.257 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 p -72.69 -21.97 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.199 172.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.68 -35.49 77.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.03 -44.12 96.48 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 169.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.72 -38.27 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 0.0 111.177 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -56.64 -41.02 76.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.9 m -66.38 -40.02 89.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 174.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -63.71 -29.39 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -51.95 -47.91 64.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -70.09 -31.84 69.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.286 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -64.95 -35.8 82.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.89 -44.9 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -53.59 -40.04 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.233 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 83.6 m -58.12 -41.42 83.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -178.279 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.835 0.35 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.13 -59.18 5.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.245 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.06 -30.32 71.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.67 97.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.44 ' HE2' ' HB3' ' A' ' 36' ' ' ALA . 97.6 mttt -67.36 -40.19 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 176.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.5 -46.42 90.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.235 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -74.52 -35.06 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.267 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.26 80.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.59 -44.14 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.84 -39.78 86.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.216 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.93 -40.53 72.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.12 -43.77 90.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.26 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.3 -46.58 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 177.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.63 -33.17 74.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.56 -27.18 66.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.62 21.53 21.36 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.426 HG22 ' H ' ' A' ' 28' ' ' LYS . 68.7 mt -97.58 85.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 111.19 -175.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.4 -31.86 73.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -171.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -70.36 -49.63 47.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -171.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' H ' HG22 ' A' ' 25' ' ' ILE . 99.4 mttt -82.05 -32.35 30.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -162.126 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -66.65 -23.07 66.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -175.189 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -96.53 -46.1 6.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -97.35 -61.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -173.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.68 -60.13 4.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.246 -166.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 tp -63.91 -29.75 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 -173.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.55 63.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -102.2 8.32 40.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.274 -174.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.44 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . . . -65.23 142.62 58.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.187 176.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -103.54 -12.33 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -171.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.3 t -159.06 162.5 36.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.267 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -71.82 -19.95 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -175.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.24 -41.24 94.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.58 -34.36 78.63 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.45 -46.92 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.325 . . . . 0.0 111.215 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -64.39 -35.83 82.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 83.1 m -61.47 -40.7 95.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -66.0 -31.84 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.257 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.76 -39.94 95.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 172.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.94 -34.9 79.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.55 -33.83 76.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.75 -43.3 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.229 173.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.89 -36.12 76.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.1 p -88.02 -20.88 25.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.253 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.8 t80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 175.234 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.714 0.292 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.32 -40.1 89.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.211 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -68.23 -40.07 82.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.216 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.93 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.281 176.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.7 -48.45 81.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.76 -36.7 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.201 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.99 -50.72 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.18 69.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.143 -177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.422 HG13 HG12 ' A' ' 33' ' ' ILE . 82.1 mt -61.85 -49.33 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.284 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.77 -27.99 66.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.213 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HB3' HG21 ' A' ' 49' ' ' ILE . 74.2 mm-40 -72.62 -34.13 67.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.255 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.67 -34.59 77.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.23 -44.47 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 172.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.51 -37.03 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.6 -30.78 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 174.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.09 31.31 28.97 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.427 HG22 ' H ' ' A' ' 28' ' ' LYS . 38.2 mm -108.53 98.91 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 111.216 -175.019 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.91 -43.63 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.267 -173.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.32 -49.19 75.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.243 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 75.7 mmtt -75.99 -23.52 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -55.28 -36.15 65.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 172.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -101.57 -24.95 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -176.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -98.2 -59.77 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.318 -176.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' HB2' ' HD2' ' A' ' 28' ' ' LYS . 49.2 tp -64.55 -60.57 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 -168.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.422 HG12 HG13 ' A' ' 17' ' ' ILE . 5.6 tp -71.21 -21.01 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -172.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.58 -24.76 67.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -96.8 14.68 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.55 119.09 9.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.227 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -116.67 -46.9 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.7 p -117.24 164.54 14.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.229 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.63 -24.16 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -73.59 -36.67 65.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.316 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.21 -40.6 99.27 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 170.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.58 -40.1 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 111.21 175.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -62.84 -39.76 95.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.255 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.2 m -61.32 -40.26 93.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 172.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -65.0 -36.88 85.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.97 -34.37 76.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.54 -34.64 78.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.222 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -71.63 -39.67 70.27 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.22 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' A' ' 19' ' ' GLU . 81.6 mt -62.01 -37.91 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -50.37 -43.59 54.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.5 m -70.52 -38.21 74.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -176.27 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.3 tp . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.744 0.307 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.19 -28.86 68.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -89.69 -36.26 15.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.246 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.45 -36.92 77.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -63.36 -20.74 65.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.67 -24.55 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -64.3 -52.09 60.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.45 -37.89 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.33 -39.64 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.145 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -51.44 -44.68 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.189 174.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -76.05 -32.49 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.252 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 29' ' ' TYR . 80.8 mt -64.95 -37.63 88.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.249 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.9 t -76.24 -43.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.237 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -62.04 -39.73 93.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.283 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.01 -29.68 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.249 175.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.26 42.34 9.45 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -107.96 93.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.718 0.294 . . . . 0.0 111.31 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.74 85.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -51.07 -49.53 60.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -82.45 -25.32 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.223 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.45 ' HA ' HD13 ' A' ' 20' ' ' LEU . 76.1 t80 -56.39 -40.13 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.186 174.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -94.68 -30.94 14.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -97.72 -59.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -172.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.94 -58.04 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -168.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 tp -67.43 -21.43 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -173.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.33 -24.54 67.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -95.86 10.49 37.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.222 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.69 82.71 2.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.248 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.15 -32.09 72.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.172 -177.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.4 p -129.13 169.11 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.277 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -73.26 -20.86 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 175.447 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.43 -34.45 65.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.246 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.44 -41.59 99.76 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 170.27 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.8 t -57.94 -45.63 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.323 . . . . 0.0 111.248 174.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -57.2 -46.88 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 83.1 m -59.56 -39.89 85.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -72.48 -27.83 62.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -176.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.44 -44.12 95.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 168.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.84 -32.06 73.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -65.97 -56.07 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.3 tp -65.1 -27.76 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.235 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.25 -49.47 76.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.268 172.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.6 m -62.51 -40.12 95.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.202 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.8 tt . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.835 0.35 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.07 -49.94 72.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -70.7 -47.98 57.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.146 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.33 71.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.196 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.2 -50.67 72.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.198 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.27 -34.38 78.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HB3' ' HD2' ' A' ' 46' ' ' LYS . 75.6 mm-40 -63.62 -41.92 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.231 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.88 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.271 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.448 ' HA ' HD12 ' A' ' 20' ' ' LEU . 82.5 mt -62.59 -34.8 67.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.187 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -57.57 -38.6 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 174.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.54 -30.32 33.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.205 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 17' ' ' ILE . 71.2 mt -65.62 -41.08 93.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -76.06 -29.45 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.36 -34.62 68.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.153 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.19 86.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.233 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.02 10.08 79.26 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.9 mt -95.09 99.04 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.701 0.286 . . . . 0.0 111.19 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.07 -34.64 78.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.255 -172.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.45 -53.45 51.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -79.29 -24.85 42.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 -174.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -53.24 -35.83 60.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -106.35 -32.3 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.246 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -80.06 -58.97 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.0 tp -55.21 -51.06 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 -172.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.5 tp -65.44 -24.63 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.0 -12.42 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.84 18.41 13.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.46 133.65 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -115.08 -22.38 9.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.9 p -131.38 164.2 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.178 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.01 -24.5 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 174.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -72.66 -40.58 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.24 97.87 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 175.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.01 -48.69 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.754 0.311 . . . . 0.0 111.182 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -68.25 -47.27 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.24 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 m -61.93 -32.32 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.182 -173.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -61.21 -25.18 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.467 ' HD2' ' HB3' ' A' ' 15' ' ' GLU . 87.7 tttt -55.1 -35.87 65.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -94.55 -19.68 20.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.269 -177.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.04 -42.68 89.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.81 -26.3 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.31 -43.72 97.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.267 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -65.27 -40.44 93.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 173.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 179.47 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.802 0.334 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.55 -32.53 58.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -56.58 -50.16 72.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.272 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.96 92.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -56.1 -48.85 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.89 -34.95 74.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -68.37 -34.74 76.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.69 -48.29 75.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.0 pt -74.7 -22.93 17.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.84 -47.74 76.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 172.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.03 -31.33 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.2 mt -64.97 -42.01 94.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 177.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.82 -40.75 89.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.02 -35.07 79.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.42 -17.95 37.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.216 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.77 27.57 45.93 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -95.42 83.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.747 0.308 . . . . 0.0 111.215 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.03 -43.57 78.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -175.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.13 -47.76 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.184 -175.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 47.3 mmtm -81.96 -29.89 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -176.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -54.8 -44.81 74.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.254 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -85.26 -39.96 17.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -97.55 -60.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 -169.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' HB2' ' HD2' ' A' ' 28' ' ' LYS . 49.1 tp -57.7 -53.36 59.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -166.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.7 mm -72.34 -31.25 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -174.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.52 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.289 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.02 5.95 50.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.169 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.8 136.71 58.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -102.3 -45.31 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.3 p -128.06 168.23 15.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.193 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.66 -25.68 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.49 -34.7 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.37 -44.0 98.05 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 170.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.22 -40.38 88.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.832 0.349 . . . . 0.0 111.203 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.73 -34.36 77.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.239 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 m -66.94 -39.96 87.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.03 -26.44 68.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.122 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.07 -18.1 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -94.76 -26.89 16.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -69.88 -32.19 70.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.244 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.419 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 15.3 tt -64.56 -20.16 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -66.41 -20.05 65.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.8 p -108.18 -16.94 14.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.419 ' CD2' ' HA ' ' A' ' 49' ' ' ILE . 19.7 m-30 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.247 175.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.0 tp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.842 0.354 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -60.11 -52.68 64.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.25 -35.17 80.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.11 95.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.245 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.1 -39.85 95.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.183 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.23 -43.22 92.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -73.64 -32.74 64.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.75 98.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.1 pt -86.79 -11.21 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.249 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.91 -38.48 91.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 169.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -62.91 -34.74 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.94 -32.1 71.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 176.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.97 -43.38 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.179 173.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -66.2 -35.35 80.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.56 -29.12 64.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.45 27.7 38.56 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.5 mt -101.92 115.74 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 111.193 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.35 -14.21 31.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.228 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.93 -46.78 28.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -173.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -79.32 -34.87 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -163.068 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 1.2 p90 -66.96 -17.68 65.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -97.56 -43.38 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.257 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.03 -59.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.226 -173.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.9 tp -56.4 -58.6 7.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.265 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 tp -63.87 -26.44 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.15 -26.32 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -75.14 -14.11 60.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 136.44 56.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -114.15 -20.45 10.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.265 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.6 p -133.34 164.92 26.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -66.37 -23.74 32.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.74 -36.35 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.1 -38.14 95.57 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.53 -42.37 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.159 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.6 m0 -59.55 -45.4 91.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.9 m -62.92 -42.12 99.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -61.43 -44.87 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -60.37 -36.89 79.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.075 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -57.67 -45.31 85.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -71.9 -34.42 69.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.233 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.402 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 90.4 mt -65.29 -37.56 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -52.69 -47.55 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 172.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.9 m -57.76 -41.14 81.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 174.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CD2' ' HA ' ' A' ' 49' ' ' ILE . 12.9 m-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.256 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' LYS . 94.9 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.4 m -53.15 -52.1 59.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.199 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -73.01 -14.81 61.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -84.01 -23.99 30.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.7 mt -91.06 -31.93 16.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.8 mt -114.0 115.51 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.229 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.43 -29.75 70.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -64.51 -26.56 68.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.196 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -96.3 -19.4 19.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.51 -32.14 71.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 172.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.9 -20.45 66.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.95 -50.69 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -68.09 -26.89 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.41 -40.83 73.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.237 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -71.0 -31.89 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -48.31 76.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.27 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.434 ' HB ' ' CE1' ' A' ' 29' ' ' TYR . 38.8 pt -74.95 -20.07 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.33 -46.64 76.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 173.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.7 -36.7 85.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.35 -48.62 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.8 p -70.55 -25.56 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.252 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -75.99 -35.24 59.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 173.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.98 -18.51 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.2 23.77 43.17 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -95.77 80.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.71 93.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.6 -50.22 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -83.27 -28.74 28.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.434 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 84.1 t80 -52.76 -40.15 62.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 173.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -93.83 -29.72 15.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.202 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -99.65 -60.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 -172.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -54.06 -60.06 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 -168.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.3 mm -74.76 -30.04 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.208 -171.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.25 66.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.27 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -95.06 22.09 7.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.243 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.54 138.2 35.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 1' ' ' THR . 98.2 mttt -104.96 -44.85 4.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.5 p -122.96 170.85 9.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -66.5 -24.3 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -73.9 -35.16 64.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.246 172.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.59 -40.1 97.41 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 169.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.7 -42.46 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -65.38 -33.18 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.1 m -65.04 -43.54 92.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 171.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -66.13 -30.02 70.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -54.01 -44.08 70.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.71 -35.55 79.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.217 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.91 -32.69 74.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.6 mt -59.62 -45.32 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.205 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.12 -33.99 77.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.9 m -63.38 -39.97 95.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -82.81 -25.24 32.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.6 m -70.02 -44.76 68.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.6 t -81.49 114.19 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.5 p -120.03 -15.11 8.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.824 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 71.5 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.794 0.33 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.5 m -57.24 -38.66 74.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 3.3 m-30 -58.35 -31.35 67.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.177 -176.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -90.36 -4.91 56.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.2 mt -94.46 -12.81 27.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.146 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.4 mt -83.92 114.22 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 -176.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.31 -24.26 34.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -80.13 114.06 18.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.8 tp -55.38 -38.64 69.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -57.91 -56.71 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.05 -34.73 78.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.282 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.46 -41.63 98.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 36' ' ' ALA . 97.0 mttt -67.19 -41.49 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 176.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.25 -39.57 87.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -75.53 -50.92 14.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.223 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.5 -34.65 78.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -66.63 -50.82 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.19 -37.24 34.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -55.72 -51.67 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.1 mt -69.41 -34.13 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.33 -39.04 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.66 -35.93 73.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.234 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.55 71.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.02 20.47 13.96 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.432 HG22 ' H ' ' A' ' 28' ' ' LYS . 88.2 mt -104.93 111.28 33.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.805 0.336 . . . . 0.0 111.259 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.48 -16.57 24.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.218 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -77.32 -46.65 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' H ' HG22 ' A' ' 25' ' ' ILE . 71.6 mmtt -78.6 -41.13 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 -164.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -60.83 -33.29 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -80.91 -38.31 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -91.19 -57.62 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.05 -56.97 14.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 -176.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 94.8 mt -96.14 -54.9 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 -163.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.56 -26.37 61.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -104.82 28.11 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.421 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . . . -78.37 153.25 31.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 176.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -101.23 -33.29 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.0 p -121.79 154.65 36.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 p -76.01 -24.78 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.54 -34.36 72.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.255 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.34 -46.17 94.3 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.16 -40.0 87.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.9 m0 -55.28 -44.18 75.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.5 m -65.93 -40.02 91.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -59.41 -29.22 67.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 -177.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HA ' HG12 ' A' ' 49' ' ' ILE . 9.2 tmtt? -53.49 -40.23 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 176.262 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.4 -37.73 87.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -71.31 -41.49 69.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.274 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 46' ' ' LYS . 36.1 pt -82.87 -12.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -175.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.39 -52.75 64.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 170.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -61.08 -40.02 92.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -56.51 -44.91 81.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 79.3 m -63.58 -40.28 96.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.209 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.89 -40.59 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.213 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.0 p -81.87 -20.01 39.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.218 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.12 176.647 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.749 0.309 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 4' ' ' LYS . 87.6 m -57.64 124.58 19.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.292 177.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -64.6 -24.01 67.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.26 -171.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.424 ' H ' HG22 ' A' ' 2' ' ' THR . 98.9 mttt -70.67 -22.67 62.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.2 mt -103.71 -29.26 11.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 -174.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -83.45 127.41 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.9 tp -82.99 -56.76 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -96.97 148.81 22.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 -170.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.51 -46.9 85.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 176.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.65 -42.56 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.08 -41.25 92.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.17 -54.43 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -66.86 -23.72 66.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.214 -172.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -52.69 -49.68 64.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.282 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -82.27 -34.08 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.283 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.35 87.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.99 -40.26 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.241 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.64 -35.91 77.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.246 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.36 -33.4 65.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 29' ' ' TYR . 77.5 mt -65.85 -35.64 81.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 175.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.27 -47.39 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.74 -39.76 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.99 -33.55 70.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.01 36.94 10.49 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.0 mt -97.77 81.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 111.163 -176.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.75 98.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.172 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -54.01 -55.94 22.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.235 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -78.75 -16.66 56.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 -176.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.456 ' HA ' HD13 ' A' ' 20' ' ' LEU . 83.0 t80 -64.8 -40.97 96.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -95.53 -32.42 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -99.13 -60.6 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 -169.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.1 tp -68.41 -57.68 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.233 -166.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.57 -24.64 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.77 -25.43 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.157 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -95.28 7.53 45.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.78 134.97 55.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.256 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -112.36 -24.97 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.2 -174.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.1 t -160.07 176.93 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 m -75.15 -25.99 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -171.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -69.14 -39.65 78.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.187 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.27 -42.86 97.66 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.58 -40.67 89.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 111.244 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -60.55 -39.95 89.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.225 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.1 m -62.24 -40.1 95.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -60.99 -37.19 81.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -58.07 -43.67 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.77 -34.82 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.192 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -70.99 -30.57 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -40.45 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.186 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.0 -43.26 99.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.197 172.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.1 m -59.47 -41.88 90.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.274 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 56' ' ' GLU . 75.4 t80 -55.21 -49.84 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 176.64 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.0 m -58.96 -40.76 85.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.209 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.7 t -65.71 -40.66 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 56' ' ' GLU . 81.0 p -93.41 -7.4 44.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -175.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 55' ' ' THR . 88.8 tt0 . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.185 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.842 0.353 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.6 m -53.87 -48.13 70.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 15' ' ' GLU . 18.4 m-30 -89.96 -21.13 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.209 -177.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -72.23 -16.43 61.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.4 mt -92.46 -4.96 52.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.7 mt -91.95 111.71 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.178 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -79.86 -23.71 41.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -74.96 118.87 18.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.211 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.78 -53.21 60.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.41 -42.92 78.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 -175.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -63.56 -55.02 27.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.82 -31.42 72.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.211 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -64.97 -59.99 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.83 -34.81 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.22 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 55.3 mm-40 -58.8 -52.71 64.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.239 174.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.53 -35.73 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.26 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.06 -46.06 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -63.97 -32.92 74.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.224 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.88 -36.8 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.37 -29.74 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.185 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.25 -44.38 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 172.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.13 -35.28 77.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.64 -29.98 66.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.265 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.79 32.75 14.2 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.405 HG22 ' H ' ' A' ' 28' ' ' LYS . 36.4 mm -106.3 98.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 111.191 -176.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.89 -40.75 62.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 -174.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.13 -49.86 72.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.168 -177.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.405 ' H ' HG22 ' A' ' 25' ' ' ILE . 74.3 mmtt -82.63 -27.12 31.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -175.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -48.45 -40.43 26.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.178 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -100.99 -68.11 0.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -55.08 -52.08 64.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -166.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.82 -60.5 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.196 -170.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.0 mt -76.25 -29.74 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.194 -169.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.96 -24.48 67.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -90.89 2.13 56.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 134.56 54.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.218 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -110.5 -25.15 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.3 p -133.55 167.57 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.257 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 p -72.69 -21.97 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.199 172.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.68 -35.49 77.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.03 -44.12 96.48 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 169.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.72 -38.27 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 0.0 111.177 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -56.64 -41.02 76.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.9 m -66.38 -40.02 89.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 174.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -63.71 -29.39 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -51.95 -47.91 64.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -70.09 -31.84 69.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.286 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -64.95 -35.8 82.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.89 -44.9 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -53.59 -40.04 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.233 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 83.6 m -58.12 -41.42 83.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -77.2 -28.2 53.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.3 m -65.01 -40.73 95.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.259 173.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.9 t -68.59 -41.21 82.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.201 175.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.0 m -58.36 -45.01 89.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.201 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.113 179.198 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.702 0.287 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.1 p -105.34 4.56 31.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.209 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -114.48 165.67 12.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.199 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.9 -29.95 70.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.24 173.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.2 tp -89.59 125.89 35.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.319 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.08 124.92 18.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.217 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.4 mt -80.42 -21.6 42.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 -173.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -84.69 111.42 19.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 174.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.4 tp -52.78 -37.3 59.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.191 -175.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.13 -59.18 5.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.245 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.06 -30.32 71.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.67 97.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' HE2' ' HB3' ' A' ' 36' ' ' ALA . 97.6 mttt -67.36 -40.19 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 176.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.5 -46.42 90.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.235 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -74.52 -35.06 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.267 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.26 80.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.59 -44.14 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.84 -39.78 86.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.216 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.93 -40.53 72.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.12 -43.77 90.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.26 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.3 -46.58 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 177.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.63 -33.17 74.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.56 -27.18 66.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.62 21.53 21.36 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.426 HG22 ' H ' ' A' ' 28' ' ' LYS . 68.7 mt -97.58 85.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 111.19 -175.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.4 -31.86 73.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -171.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -70.36 -49.63 47.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -171.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' H ' HG22 ' A' ' 25' ' ' ILE . 99.4 mttt -82.05 -32.35 30.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -162.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -66.65 -23.07 66.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -175.189 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -96.53 -46.1 6.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -97.35 -61.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -173.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.68 -60.13 4.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.246 -166.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 tp -63.91 -29.75 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 -173.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.55 63.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -102.2 8.32 40.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.274 -174.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.44 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . . . -65.23 142.62 58.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.187 176.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -103.54 -12.33 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -171.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.3 t -159.06 162.5 36.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.267 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -71.82 -19.95 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -175.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.24 -41.24 94.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.58 -34.36 78.63 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.45 -46.92 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.325 . . . . 0.0 111.215 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -64.39 -35.83 82.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 83.1 m -61.47 -40.7 95.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -66.0 -31.84 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.257 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.76 -39.94 95.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 172.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.94 -34.9 79.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.55 -33.83 76.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.75 -43.3 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.229 173.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.89 -36.12 76.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.1 p -88.02 -20.88 25.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.253 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' GLU . 88.8 t80 -63.35 -51.53 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 175.234 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.5 p -65.42 -21.52 66.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.215 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.0 t -75.61 -42.47 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.252 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.0 p -93.91 0.84 56.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 -177.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' PHE . 88.4 tt0 . . . . . 0 C--O 1.201 -1.475 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.166 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 120.832 0.349 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.7 p -76.69 -13.76 60.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -57.48 -49.31 76.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.248 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -79.67 -23.31 42.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.259 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.7 mt -76.71 -32.78 58.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.3 mt -120.91 116.13 48.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.11 -27.77 68.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.232 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.79 -29.15 70.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.25 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 mp -76.18 -29.35 57.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.32 -40.1 89.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.211 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -68.23 -40.07 82.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.216 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.93 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.281 176.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.7 -48.45 81.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.76 -36.7 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.201 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.99 -50.72 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.18 69.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.143 -177.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.422 HG13 HG12 ' A' ' 33' ' ' ILE . 82.1 mt -61.85 -49.33 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.284 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.77 -27.99 66.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.213 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HB3' HG21 ' A' ' 49' ' ' ILE . 74.2 mm-40 -72.62 -34.13 67.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.255 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.67 -34.59 77.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.23 -44.47 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 172.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.51 -37.03 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.6 -30.78 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 174.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.09 31.31 28.97 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.427 HG22 ' H ' ' A' ' 28' ' ' LYS . 38.2 mm -108.53 98.91 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 111.216 -175.019 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.91 -43.63 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.267 -173.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.32 -49.19 75.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.243 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 75.7 mmtt -75.99 -23.52 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -55.28 -36.15 65.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 172.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -101.57 -24.95 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -176.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -98.2 -59.77 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.318 -176.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' HB2' ' HD2' ' A' ' 28' ' ' LYS . 49.2 tp -64.55 -60.57 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 -168.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.422 HG12 HG13 ' A' ' 17' ' ' ILE . 5.6 tp -71.21 -21.01 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -172.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.58 -24.76 67.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -96.8 14.68 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.55 119.09 9.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.227 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -116.67 -46.9 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.7 p -117.24 164.54 14.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.229 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.63 -24.16 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -73.59 -36.67 65.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.316 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.21 -40.6 99.27 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 170.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.58 -40.1 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 111.21 175.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -62.84 -39.76 95.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.255 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.2 m -61.32 -40.26 93.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 172.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -65.0 -36.88 85.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.97 -34.37 76.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.54 -34.64 78.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.222 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -71.63 -39.67 70.27 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.22 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' A' ' 19' ' ' GLU . 81.6 mt -62.01 -37.91 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -50.37 -43.59 54.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.5 m -70.52 -38.21 74.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -60.34 -34.29 73.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.9 p -76.81 -18.01 58.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.6 t -82.44 -44.09 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 174.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.4 m -69.53 -42.2 74.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -178.296 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 86.0 m . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 120.786 0.327 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 96.0 m -55.42 -48.42 74.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.246 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -69.91 -19.51 63.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -79.4 -31.42 42.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.8 mt -90.71 -23.62 20.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 81.8 mt -112.9 113.84 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.8 mt -92.64 -14.2 28.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.177 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -77.09 112.1 13.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.247 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.3 tp -54.47 -40.12 68.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -176.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.19 -28.86 68.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -89.69 -36.26 15.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.246 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.45 -36.92 77.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -63.36 -20.74 65.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.67 -24.55 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -64.3 -52.09 60.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.45 -37.89 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.33 -39.64 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.145 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -51.44 -44.68 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.189 174.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -76.05 -32.49 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.252 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 29' ' ' TYR . 80.8 mt -64.95 -37.63 88.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.249 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.9 t -76.24 -43.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.237 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -62.04 -39.73 93.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.283 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.01 -29.68 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.249 175.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.26 42.34 9.45 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -107.96 93.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.718 0.294 . . . . 0.0 111.31 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.74 85.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -51.07 -49.53 60.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -82.45 -25.32 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.223 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.45 ' HA ' HD13 ' A' ' 20' ' ' LEU . 76.1 t80 -56.39 -40.13 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.186 174.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -94.68 -30.94 14.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -97.72 -59.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -172.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.94 -58.04 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -168.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 tp -67.43 -21.43 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -173.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.33 -24.54 67.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -95.86 10.49 37.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.222 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.69 82.71 2.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.248 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.15 -32.09 72.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.172 -177.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.4 p -129.13 169.11 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.277 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -73.26 -20.86 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 175.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.43 -34.45 65.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.246 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.44 -41.59 99.76 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 170.27 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.8 t -57.94 -45.63 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.323 . . . . 0.0 111.248 174.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -57.2 -46.88 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 83.1 m -59.56 -39.89 85.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -72.48 -27.83 62.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -176.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.44 -44.12 95.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 168.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.84 -32.06 73.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -65.97 -56.07 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.3 tp -65.1 -27.76 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.235 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.25 -49.47 76.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.268 172.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.6 m -62.51 -40.12 95.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -59.26 -43.93 92.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.1 m -64.36 -39.87 94.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.25 -39.77 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.9 p -86.63 -15.16 40.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.2 -1.544 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 177.754 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 80.2 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.729 0.3 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.6 m -97.43 125.02 41.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.234 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -107.92 2.86 23.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -172.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.78 166.56 15.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 177.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.0 tp -55.86 119.78 6.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.173 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.6 mm -104.31 128.25 57.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.238 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.6 mt -87.05 159.12 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -52.18 134.7 32.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.256 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.8 tt -43.7 -44.54 6.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.255 -172.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.07 -49.94 72.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -70.7 -47.98 57.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.146 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.33 71.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.196 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.2 -50.67 72.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.198 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.27 -34.38 78.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HB3' ' HD2' ' A' ' 46' ' ' LYS . 75.6 mm-40 -63.62 -41.92 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.231 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.88 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.271 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.448 ' HA ' HD12 ' A' ' 20' ' ' LEU . 82.5 mt -62.59 -34.8 67.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.187 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -57.57 -38.6 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 174.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.54 -30.32 33.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.205 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 17' ' ' ILE . 71.2 mt -65.62 -41.08 93.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -76.06 -29.45 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.36 -34.62 68.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.153 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.19 86.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.233 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.02 10.08 79.26 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.9 mt -95.09 99.04 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.701 0.286 . . . . 0.0 111.19 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.07 -34.64 78.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.255 -172.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.45 -53.45 51.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -79.29 -24.85 42.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 -174.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -53.24 -35.83 60.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -106.35 -32.3 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.246 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -80.06 -58.97 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.0 tp -55.21 -51.06 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 -172.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.5 tp -65.44 -24.63 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.0 -12.42 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.84 18.41 13.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.46 133.65 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -115.08 -22.38 9.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.9 p -131.38 164.2 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.178 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.01 -24.5 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 174.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -72.66 -40.58 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.24 97.87 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 175.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.01 -48.69 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.754 0.311 . . . . 0.0 111.182 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -68.25 -47.27 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.24 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 m -61.93 -32.32 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.182 -173.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -61.21 -25.18 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.467 ' HD2' ' HB3' ' A' ' 15' ' ' GLU . 87.7 tttt -55.1 -35.87 65.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -94.55 -19.68 20.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.269 -177.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.04 -42.68 89.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.81 -26.3 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.31 -43.72 97.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.267 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -65.27 -40.44 93.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 173.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -60.94 -36.54 79.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.5 m -67.43 -41.47 84.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.248 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.9 t -64.12 -39.97 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.266 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.492 ' O ' ' O ' ' A' ' 56' ' ' GLU . 81.0 p -87.56 -13.6 42.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.492 ' O ' ' O ' ' A' ' 55' ' ' THR . 87.0 tt0 . . . . . 0 C--O 1.201 -1.483 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.247 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.9 0.381 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.7 m -57.44 -34.38 68.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.205 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -62.91 -24.94 68.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.172 -175.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -71.29 -24.39 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -85.39 -6.36 59.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.409 HG22 ' H ' ' A' ' 8' ' ' ASN . 49.3 mm -85.44 119.73 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.222 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.5 mt -72.28 -18.9 61.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.276 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' H ' HG22 ' A' ' 6' ' ' ILE . 96.3 m-20 -94.75 15.66 17.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -58.91 -59.76 4.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 177.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.55 -32.53 58.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -56.58 -50.16 72.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.272 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.96 92.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -56.1 -48.85 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.89 -34.95 74.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -68.37 -34.74 76.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.69 -48.29 75.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.0 pt -74.7 -22.93 17.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.84 -47.74 76.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 172.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.03 -31.33 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.2 mt -64.97 -42.01 94.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 177.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.82 -40.75 89.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.02 -35.07 79.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.42 -17.95 37.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.216 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.77 27.57 45.93 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -95.42 83.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.747 0.308 . . . . 0.0 111.215 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.03 -43.57 78.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -175.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.13 -47.76 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.184 -175.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 47.3 mmtm -81.96 -29.89 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -176.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -54.8 -44.81 74.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.254 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -85.26 -39.96 17.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -175.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -97.55 -60.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 -169.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' HB2' ' HD2' ' A' ' 28' ' ' LYS . 49.1 tp -57.7 -53.36 59.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -166.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.7 mm -72.34 -31.25 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -174.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.52 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.289 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.02 5.95 50.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.169 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.8 136.71 58.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -102.3 -45.31 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.3 p -128.06 168.23 15.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.193 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.66 -25.68 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.49 -34.7 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.37 -44.0 98.05 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 170.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.22 -40.38 88.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.832 0.349 . . . . 0.0 111.203 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.73 -34.36 77.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.239 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 m -66.94 -39.96 87.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.03 -26.44 68.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.122 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.07 -18.1 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -94.76 -26.89 16.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -69.88 -32.19 70.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.244 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.419 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 15.3 tt -64.56 -20.16 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -66.41 -20.05 65.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.8 p -108.18 -16.94 14.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.419 ' CD2' ' HA ' ' A' ' 49' ' ' ILE . 19.7 m-30 -65.87 -34.49 78.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.247 175.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.2 p -72.75 -20.62 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.9 t -77.59 -41.01 28.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.262 173.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.483 ' O ' ' O ' ' A' ' 56' ' ' GLU . 81.0 p -82.15 -15.4 53.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' O ' ' O ' ' A' ' 55' ' ' THR . 86.8 tt0 . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 176.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 68.6 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.83 0.347 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.6 p -89.75 -12.67 38.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -77.81 -29.67 50.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -110.02 89.97 3.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.239 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.18 142.52 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.7 mt -99.4 125.87 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 -176.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.71 -32.07 70.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -70.91 120.72 16.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.0 tp -58.63 -49.1 78.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 -176.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -60.11 -52.68 64.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.25 -35.17 80.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.11 95.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.245 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.1 -39.85 95.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.183 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.23 -43.22 92.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -73.64 -32.74 64.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.75 98.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.1 pt -86.79 -11.21 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.249 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.91 -38.48 91.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 169.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -62.91 -34.74 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.94 -32.1 71.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 176.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.97 -43.38 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.179 173.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -66.2 -35.35 80.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.56 -29.12 64.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.45 27.7 38.56 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.5 mt -101.92 115.74 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 111.193 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.35 -14.21 31.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.228 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.93 -46.78 28.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -173.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -79.32 -34.87 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -163.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 1.2 p90 -66.96 -17.68 65.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -97.56 -43.38 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.257 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.03 -59.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.226 -173.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.9 tp -56.4 -58.6 7.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.265 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 tp -63.87 -26.44 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.15 -26.32 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -75.14 -14.11 60.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 136.44 56.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -114.15 -20.45 10.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.265 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.6 p -133.34 164.92 26.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -66.37 -23.74 32.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.74 -36.35 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.1 -38.14 95.57 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.53 -42.37 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.159 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.6 m0 -59.55 -45.4 91.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.9 m -62.92 -42.12 99.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -61.43 -44.87 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -60.37 -36.89 79.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.075 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -57.67 -45.31 85.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -71.9 -34.42 69.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.233 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.402 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 90.4 mt -65.29 -37.56 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -52.69 -47.55 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 172.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.9 m -57.76 -41.14 81.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 174.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CD2' ' HA ' ' A' ' 49' ' ' ILE . 12.9 m-30 -59.38 -43.02 92.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.256 177.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.8 m -59.57 -42.86 93.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.14 -41.24 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.227 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -77.76 -20.44 53.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.19 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 . . . . . 0 C--O 1.201 -1.48 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 176.777 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.767 0.317 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.51 -32.14 71.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 172.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.9 -20.45 66.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.95 -50.69 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -68.09 -26.89 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.41 -40.83 73.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.237 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -71.0 -31.89 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -48.31 76.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.27 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.434 ' HB ' ' CE1' ' A' ' 29' ' ' TYR . 38.8 pt -74.95 -20.07 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.33 -46.64 76.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 173.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.7 -36.7 85.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.35 -48.62 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.8 p -70.55 -25.56 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.252 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -75.99 -35.24 59.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 173.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.98 -18.51 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.2 23.77 43.17 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -95.77 80.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.71 93.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.6 -50.22 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -83.27 -28.74 28.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.434 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 84.1 t80 -52.76 -40.15 62.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 173.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -93.83 -29.72 15.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.202 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -99.65 -60.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 -172.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -54.06 -60.06 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 -168.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.3 mm -74.76 -30.04 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.208 -171.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.25 66.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.27 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -95.06 22.09 7.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.243 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.54 138.2 35.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -104.96 -44.85 4.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 177.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.5 p -122.96 170.85 9.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -66.5 -24.3 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -73.9 -35.16 64.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.246 172.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.59 -40.1 97.41 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 169.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.7 -42.46 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -65.38 -33.18 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.1 m -65.04 -43.54 92.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 171.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -66.13 -30.02 70.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -54.01 -44.08 70.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.71 -35.55 79.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.217 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.91 -32.69 74.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.6 mt -59.62 -45.32 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.205 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.12 -33.99 77.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.9 m -63.38 -39.97 95.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.529 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.8 tp . . . . . 0 CA--C 1.523 -0.089 0 CA-C-O 120.853 0.359 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -57.91 -56.71 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.05 -34.73 78.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.282 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.46 -41.63 98.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 36' ' ' ALA . 97.0 mttt -67.19 -41.49 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 176.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.25 -39.57 87.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -75.53 -50.92 14.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.223 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.5 -34.65 78.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -66.63 -50.82 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.19 -37.24 34.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -55.72 -51.67 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.1 mt -69.41 -34.13 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.33 -39.04 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.66 -35.93 73.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.234 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.55 71.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.02 20.47 13.96 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.432 HG22 ' H ' ' A' ' 28' ' ' LYS . 88.2 mt -104.93 111.28 33.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.805 0.336 . . . . 0.0 111.259 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.48 -16.57 24.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.218 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -77.32 -46.65 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.432 ' H ' HG22 ' A' ' 25' ' ' ILE . 71.6 mmtt -78.6 -41.13 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 -164.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -60.83 -33.29 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -80.91 -38.31 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -91.19 -57.62 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.05 -56.97 14.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 -176.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 94.8 mt -96.14 -54.9 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 -163.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.56 -26.37 61.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -104.82 28.11 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.421 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . . . -78.37 153.25 31.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 176.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -101.23 -33.29 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.0 p -121.79 154.65 36.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 p -76.01 -24.78 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.54 -34.36 72.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.255 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.34 -46.17 94.3 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.16 -40.0 87.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.9 m0 -55.28 -44.18 75.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.5 m -65.93 -40.02 91.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -59.41 -29.22 67.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 -177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HA ' HG12 ' A' ' 49' ' ' ILE . 9.2 tmtt? -53.49 -40.23 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 176.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.4 -37.73 87.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -71.31 -41.49 69.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.274 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 46' ' ' LYS . 36.1 pt -82.87 -12.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -175.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.39 -52.75 64.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 170.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -61.08 -40.02 92.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 179.64 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 tp . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.864 0.364 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.65 -42.56 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.08 -41.25 92.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.17 -54.43 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -66.86 -23.72 66.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.214 -172.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -52.69 -49.68 64.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.282 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -82.27 -34.08 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.283 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.35 87.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.99 -40.26 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.241 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.64 -35.91 77.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.246 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.36 -33.4 65.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 29' ' ' TYR . 77.5 mt -65.85 -35.64 81.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 175.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.27 -47.39 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.74 -39.76 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.99 -33.55 70.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.01 36.94 10.49 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.0 mt -97.77 81.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 111.163 -176.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.75 98.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.172 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -54.01 -55.94 22.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.235 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -78.75 -16.66 56.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 -176.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.456 ' HA ' HD13 ' A' ' 20' ' ' LEU . 83.0 t80 -64.8 -40.97 96.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -95.53 -32.42 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -99.13 -60.6 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 -169.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.1 tp -68.41 -57.68 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.233 -166.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.57 -24.64 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.77 -25.43 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.157 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -95.28 7.53 45.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.78 134.97 55.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.256 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -112.36 -24.97 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.2 -174.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.1 t -160.07 176.93 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 m -75.15 -25.99 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -171.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -69.14 -39.65 78.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.187 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.27 -42.86 97.66 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.58 -40.67 89.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 111.244 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -60.55 -39.95 89.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.225 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.1 m -62.24 -40.1 95.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -60.99 -37.19 81.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -58.07 -43.67 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.77 -34.82 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.192 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -70.99 -30.57 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -40.45 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.186 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.0 -43.26 99.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.197 172.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.1 m -59.47 -41.88 90.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.274 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.4 t80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 176.64 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.7 tp . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.802 0.334 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.41 -42.92 78.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 -175.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -63.56 -55.02 27.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.82 -31.42 72.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.211 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -64.97 -59.99 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.83 -34.81 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.22 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 55.3 mm-40 -58.8 -52.71 64.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.239 174.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.53 -35.73 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.26 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.06 -46.06 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -63.97 -32.92 74.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.224 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.88 -36.8 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.37 -29.74 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.185 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.25 -44.38 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 172.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.13 -35.28 77.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.64 -29.98 66.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.265 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.79 32.75 14.2 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.405 HG22 ' H ' ' A' ' 28' ' ' LYS . 36.4 mm -106.3 98.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 111.191 -176.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.89 -40.75 62.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 -174.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.13 -49.86 72.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.168 -177.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.405 ' H ' HG22 ' A' ' 25' ' ' ILE . 74.3 mmtt -82.63 -27.12 31.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -175.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -48.45 -40.43 26.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.178 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -100.99 -68.11 0.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -55.08 -52.08 64.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -166.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.82 -60.5 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.196 -170.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.0 mt -76.25 -29.74 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.194 -169.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.96 -24.48 67.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -90.89 2.13 56.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 134.56 54.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.218 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -110.5 -25.15 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.3 p -133.55 167.57 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.257 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 p -72.69 -21.97 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.199 172.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.68 -35.49 77.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.03 -44.12 96.48 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 169.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.72 -38.27 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 0.0 111.177 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -56.64 -41.02 76.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.9 m -66.38 -40.02 89.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 174.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -63.71 -29.39 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -51.95 -47.91 64.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -70.09 -31.84 69.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.286 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -64.95 -35.8 82.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.89 -44.9 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -53.59 -40.04 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.233 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 83.6 m -58.12 -41.42 83.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -178.279 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.4 tp . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.835 0.35 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.13 -59.18 5.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.245 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.06 -30.32 71.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.67 97.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.44 ' HE2' ' HB3' ' A' ' 36' ' ' ALA . 97.6 mttt -67.36 -40.19 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 176.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.5 -46.42 90.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.235 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -74.52 -35.06 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.267 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.26 80.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.59 -44.14 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.84 -39.78 86.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.216 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.93 -40.53 72.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.12 -43.77 90.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.26 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.3 -46.58 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 177.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.63 -33.17 74.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.56 -27.18 66.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.62 21.53 21.36 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.426 HG22 ' H ' ' A' ' 28' ' ' LYS . 68.7 mt -97.58 85.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 111.19 -175.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.4 -31.86 73.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -171.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -70.36 -49.63 47.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -171.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.426 ' H ' HG22 ' A' ' 25' ' ' ILE . 99.4 mttt -82.05 -32.35 30.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -162.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -66.65 -23.07 66.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -175.189 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -96.53 -46.1 6.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -97.35 -61.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -173.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.68 -60.13 4.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.246 -166.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 tp -63.91 -29.75 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 -173.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.55 63.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -102.2 8.32 40.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.274 -174.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.44 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . . . -65.23 142.62 58.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.187 176.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -103.54 -12.33 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -171.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.3 t -159.06 162.5 36.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.267 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -71.82 -19.95 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -175.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.24 -41.24 94.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.58 -34.36 78.63 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.45 -46.92 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.325 . . . . 0.0 111.215 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -64.39 -35.83 82.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 83.1 m -61.47 -40.7 95.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -66.0 -31.84 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.257 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.76 -39.94 95.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 172.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.94 -34.9 79.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.55 -33.83 76.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.75 -43.3 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.229 173.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.89 -36.12 76.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.1 p -88.02 -20.88 25.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.253 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 88.8 t80 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 175.234 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 mp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.714 0.292 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.32 -40.1 89.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.211 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -68.23 -40.07 82.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.216 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.93 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.281 176.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.7 -48.45 81.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.76 -36.7 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.201 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.99 -50.72 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.18 69.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.143 -177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.422 HG13 HG12 ' A' ' 33' ' ' ILE . 82.1 mt -61.85 -49.33 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.284 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.77 -27.99 66.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.213 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HB3' HG21 ' A' ' 49' ' ' ILE . 74.2 mm-40 -72.62 -34.13 67.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.255 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.67 -34.59 77.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.23 -44.47 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 172.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.51 -37.03 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.6 -30.78 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 174.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.09 31.31 28.97 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.427 HG22 ' H ' ' A' ' 28' ' ' LYS . 38.2 mm -108.53 98.91 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 111.216 -175.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.91 -43.63 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.267 -173.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.32 -49.19 75.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.243 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 75.7 mmtt -75.99 -23.52 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -55.28 -36.15 65.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 172.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -101.57 -24.95 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -176.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -98.2 -59.77 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.318 -176.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' HB2' ' HD2' ' A' ' 28' ' ' LYS . 49.2 tp -64.55 -60.57 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 -168.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.422 HG12 HG13 ' A' ' 17' ' ' ILE . 5.6 tp -71.21 -21.01 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -172.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.58 -24.76 67.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -96.8 14.68 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.55 119.09 9.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.227 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -116.67 -46.9 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.7 p -117.24 164.54 14.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.229 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.63 -24.16 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -73.59 -36.67 65.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.316 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.21 -40.6 99.27 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 170.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.58 -40.1 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 111.21 175.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -62.84 -39.76 95.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.255 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.2 m -61.32 -40.26 93.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 172.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -65.0 -36.88 85.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.97 -34.37 76.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.54 -34.64 78.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.222 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -71.63 -39.67 70.27 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.22 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' A' ' 19' ' ' GLU . 81.6 mt -62.01 -37.91 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -50.37 -43.59 54.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.5 m -70.52 -38.21 74.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -176.27 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.3 tp . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.744 0.307 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.19 -28.86 68.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -89.69 -36.26 15.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.246 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.45 -36.92 77.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -63.36 -20.74 65.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.67 -24.55 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -64.3 -52.09 60.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.45 -37.89 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.33 -39.64 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.145 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -51.44 -44.68 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.189 174.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -76.05 -32.49 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.252 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 29' ' ' TYR . 80.8 mt -64.95 -37.63 88.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.249 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.9 t -76.24 -43.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.237 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -62.04 -39.73 93.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.283 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.01 -29.68 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.249 175.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.26 42.34 9.45 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -107.96 93.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.718 0.294 . . . . 0.0 111.31 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.74 85.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -51.07 -49.53 60.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -82.45 -25.32 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.223 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.45 ' HA ' HD13 ' A' ' 20' ' ' LEU . 76.1 t80 -56.39 -40.13 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.186 174.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -94.68 -30.94 14.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -97.72 -59.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -172.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.94 -58.04 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -168.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 tp -67.43 -21.43 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -173.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.33 -24.54 67.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -95.86 10.49 37.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.222 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.69 82.71 2.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.248 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.15 -32.09 72.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.172 -177.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.4 p -129.13 169.11 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.277 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -73.26 -20.86 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 175.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.43 -34.45 65.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.246 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.44 -41.59 99.76 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 170.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.8 t -57.94 -45.63 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.323 . . . . 0.0 111.248 174.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -57.2 -46.88 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 83.1 m -59.56 -39.89 85.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -72.48 -27.83 62.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -176.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.44 -44.12 95.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 168.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.84 -32.06 73.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -65.97 -56.07 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.3 tp -65.1 -27.76 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.235 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.25 -49.47 76.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.268 172.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.6 m -62.51 -40.12 95.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.202 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.8 tt . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.835 0.35 . . . . 0.0 111.255 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.07 -49.94 72.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -70.7 -47.98 57.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.146 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.33 71.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.196 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.2 -50.67 72.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.198 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.27 -34.38 78.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HB3' ' HD2' ' A' ' 46' ' ' LYS . 75.6 mm-40 -63.62 -41.92 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.231 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.88 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.271 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.448 ' HA ' HD12 ' A' ' 20' ' ' LEU . 82.5 mt -62.59 -34.8 67.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.187 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -57.57 -38.6 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 174.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.54 -30.32 33.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.205 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 17' ' ' ILE . 71.2 mt -65.62 -41.08 93.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -76.06 -29.45 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.36 -34.62 68.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.153 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.19 86.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.233 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.02 10.08 79.26 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.9 mt -95.09 99.04 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.701 0.286 . . . . 0.0 111.19 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.07 -34.64 78.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.255 -172.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.45 -53.45 51.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -79.29 -24.85 42.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 -174.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -53.24 -35.83 60.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -106.35 -32.3 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.246 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -80.06 -58.97 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.0 tp -55.21 -51.06 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 -172.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.5 tp -65.44 -24.63 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.0 -12.42 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.84 18.41 13.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.46 133.65 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -115.08 -22.38 9.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.9 p -131.38 164.2 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.178 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.01 -24.5 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 174.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -72.66 -40.58 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.24 97.87 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 175.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.01 -48.69 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.754 0.311 . . . . 0.0 111.182 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -68.25 -47.27 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.24 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 m -61.93 -32.32 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.182 -173.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -61.21 -25.18 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.467 ' HD2' ' HB3' ' A' ' 15' ' ' GLU . 87.7 tttt -55.1 -35.87 65.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -94.55 -19.68 20.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.269 -177.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.04 -42.68 89.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.81 -26.3 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.31 -43.72 97.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.267 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -65.27 -40.44 93.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 173.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 179.47 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.802 0.334 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.55 -32.53 58.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -56.58 -50.16 72.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.272 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.96 92.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -56.1 -48.85 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.89 -34.95 74.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -68.37 -34.74 76.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.69 -48.29 75.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.0 pt -74.7 -22.93 17.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.84 -47.74 76.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 172.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.03 -31.33 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.2 mt -64.97 -42.01 94.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 177.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.82 -40.75 89.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.02 -35.07 79.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.42 -17.95 37.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.216 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.77 27.57 45.93 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -95.42 83.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.747 0.308 . . . . 0.0 111.215 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.03 -43.57 78.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -175.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.13 -47.76 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.184 -175.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 47.3 mmtm -81.96 -29.89 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -176.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -54.8 -44.81 74.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.254 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -85.26 -39.96 17.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -97.55 -60.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 -169.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.451 ' HB2' ' HD2' ' A' ' 28' ' ' LYS . 49.1 tp -57.7 -53.36 59.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -166.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.7 mm -72.34 -31.25 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -174.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.52 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.289 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.02 5.95 50.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.169 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.8 136.71 58.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -102.3 -45.31 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.3 p -128.06 168.23 15.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.193 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.66 -25.68 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.49 -34.7 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.37 -44.0 98.05 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 170.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.22 -40.38 88.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.832 0.349 . . . . 0.0 111.203 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.73 -34.36 77.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.239 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 m -66.94 -39.96 87.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.03 -26.44 68.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.122 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.07 -18.1 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -94.76 -26.89 16.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -69.88 -32.19 70.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.244 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.419 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 15.3 tt -64.56 -20.16 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -66.41 -20.05 65.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.8 p -108.18 -16.94 14.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.419 ' CD2' ' HA ' ' A' ' 49' ' ' ILE . 19.7 m-30 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.247 175.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.0 tp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.842 0.354 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -60.11 -52.68 64.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.25 -35.17 80.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.11 95.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.245 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.1 -39.85 95.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.183 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.23 -43.22 92.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -73.64 -32.74 64.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.75 98.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.1 pt -86.79 -11.21 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.249 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.91 -38.48 91.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 169.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -62.91 -34.74 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.94 -32.1 71.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 176.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.97 -43.38 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.179 173.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -66.2 -35.35 80.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.56 -29.12 64.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.45 27.7 38.56 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.5 mt -101.92 115.74 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 111.193 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.35 -14.21 31.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.228 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.93 -46.78 28.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -173.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -79.32 -34.87 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -163.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 1.2 p90 -66.96 -17.68 65.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -97.56 -43.38 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.257 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.03 -59.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.226 -173.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.9 tp -56.4 -58.6 7.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.265 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 tp -63.87 -26.44 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.15 -26.32 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -75.14 -14.11 60.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 136.44 56.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -114.15 -20.45 10.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.265 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.6 p -133.34 164.92 26.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -66.37 -23.74 32.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.74 -36.35 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.1 -38.14 95.57 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.53 -42.37 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.159 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.6 m0 -59.55 -45.4 91.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.9 m -62.92 -42.12 99.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -61.43 -44.87 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -60.37 -36.89 79.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.075 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -57.67 -45.31 85.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -71.9 -34.42 69.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.233 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.402 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 90.4 mt -65.29 -37.56 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -52.69 -47.55 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 172.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.9 m -57.76 -41.14 81.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 174.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CD2' ' HA ' ' A' ' 49' ' ' ILE . 12.9 m-30 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.256 177.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 37' ' ' LYS . 94.9 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.78 0.324 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 91.4 m -53.15 -52.1 59.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.199 -176.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -73.01 -14.81 61.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.21 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -84.01 -23.99 30.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.205 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.7 mt -91.06 -31.93 16.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.094 -177.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 87.8 mt -114.0 115.51 49.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.229 -177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.0 mt -65.43 -29.75 70.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.171 -175.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -64.51 -26.56 68.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.196 176.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.0 mt -96.3 -19.4 19.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.175 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -60.51 -32.14 71.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 172.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -64.9 -20.45 66.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.95 -50.69 69.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.215 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.7 pttt -68.09 -26.89 66.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.41 -40.83 73.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.237 179.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -71.0 -31.89 68.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.168 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.12 -48.31 76.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.27 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.434 ' HB ' ' CE1' ' A' ' 29' ' ' TYR . 38.8 pt -74.95 -20.07 16.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.241 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -66.33 -46.64 76.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.151 173.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -64.7 -36.7 85.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.189 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.3 mt -69.35 -48.62 60.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 -179.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.8 p -70.55 -25.56 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.252 -177.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -75.99 -35.24 59.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.228 173.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.98 -18.51 59.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.197 176.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.2 23.77 43.17 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 178.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 62.1 mt -95.77 80.32 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.825 0.345 . . . . 0.0 111.148 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.42 -41.71 93.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.218 -175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -50.6 -50.22 54.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.204 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -83.27 -28.74 28.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.227 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.434 ' CE1' ' HB ' ' A' ' 17' ' ' ILE . 84.1 t80 -52.76 -40.15 62.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.176 173.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -93.83 -29.72 15.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.202 -176.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -99.65 -60.17 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 -172.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 63.8 tp -54.06 -60.06 3.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.197 -168.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 45.3 mm -74.76 -30.04 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.208 -171.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.03 -21.25 66.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.27 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -95.06 22.09 7.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.243 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.54 138.2 35.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 175.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 1' ' ' THR . 98.2 mttt -104.96 -44.85 4.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.243 177.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.5 p -122.96 170.85 9.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 175.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -66.5 -24.3 32.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 174.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -73.9 -35.16 64.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.246 172.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.59 -40.1 97.41 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 169.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.7 -42.46 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.206 175.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 41.6 m0 -65.38 -33.18 75.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.1 m -65.04 -43.54 92.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.161 171.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.2 m-30 -66.13 -30.02 70.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.203 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -54.01 -44.08 70.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.222 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.71 -35.55 79.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.217 175.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -65.91 -32.69 74.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.165 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.6 mt -59.62 -45.32 94.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.205 178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.12 -33.99 77.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.207 175.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 86.9 m -63.38 -39.97 95.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.219 176.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -82.81 -25.24 32.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.217 -178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 80.6 m -70.02 -44.76 68.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.212 178.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 84.6 t -81.49 114.19 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.186 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 79.5 p -120.03 -15.11 8.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.11 -178.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 . . . . . 0 C--O 1.2 -1.526 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.178 -179.824 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 71.5 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.794 0.33 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 89.5 m -57.24 -38.66 74.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.146 178.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.477 ' N ' ' CD1' ' A' ' 3' ' ' TYR . 3.3 m-30 -58.35 -31.35 67.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.177 -176.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -90.36 -4.91 56.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.189 -175.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.2 mt -94.46 -12.81 27.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.146 176.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 85.4 mt -83.92 114.22 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.208 -176.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.0 mt -82.31 -24.26 34.74 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.234 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.5 t-20 -80.13 114.06 18.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 -179.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 53.8 tp -55.38 -38.64 69.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.203 -177.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -57.91 -56.71 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.164 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -66.05 -34.73 78.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.282 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.46 -41.63 98.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.211 179.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.421 ' HE2' ' HB3' ' A' ' 36' ' ' ALA . 97.0 mttt -67.19 -41.49 85.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.23 176.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.25 -39.57 87.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -75.53 -50.92 14.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.223 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.5 -34.65 78.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.2 -178.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 61.7 mt -66.63 -50.82 62.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.254 174.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -50.19 -37.24 34.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.224 178.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -55.72 -51.67 66.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.164 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.1 mt -69.41 -34.13 74.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.224 -178.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.4 t -63.33 -39.04 83.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 177.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -70.66 -35.93 73.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.234 173.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.55 71.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.17 177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 101.02 20.47 13.96 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 177.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.432 HG22 ' H ' ' A' ' 28' ' ' LYS . 88.2 mt -104.93 111.28 33.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.805 0.336 . . . . 0.0 111.259 178.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -93.48 -16.57 24.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.218 -176.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -77.32 -46.65 22.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.187 -175.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.432 ' H ' HG22 ' A' ' 25' ' ' ILE . 71.6 mmtt -78.6 -41.13 32.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.201 -164.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -60.83 -33.29 72.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.23 -174.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -80.91 -38.31 28.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.151 -177.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -91.19 -57.62 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.219 -175.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 56.9 tp -61.05 -56.97 14.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.098 -176.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 94.8 mt -96.14 -54.9 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.248 -163.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.56 -26.37 61.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -174.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -104.82 28.11 7.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.421 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . . . -78.37 153.25 31.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 176.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -101.23 -33.29 10.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 -178.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 63.0 p -121.79 154.65 36.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.17 -177.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 p -76.01 -24.78 16.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 176.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -70.54 -34.36 72.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.255 174.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.34 -46.17 94.3 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 170.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.16 -40.0 87.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.784 0.326 . . . . 0.0 111.227 178.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 47.9 m0 -55.28 -44.18 75.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.22 175.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.5 m -65.93 -40.02 91.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.25 177.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.3 m-30 -59.41 -29.22 67.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.225 -177.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HA ' HG12 ' A' ' 49' ' ' ILE . 9.2 tmtt? -53.49 -40.23 65.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.2 176.262 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -65.4 -37.73 87.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.161 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -71.31 -41.49 69.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.274 -179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.403 HG12 ' HA ' ' A' ' 46' ' ' LYS . 36.1 pt -82.87 -12.34 12.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -175.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -58.39 -52.75 64.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.177 170.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.3 m -61.08 -40.02 92.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.188 176.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 -56.51 -44.91 81.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.195 179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 79.3 m -63.58 -40.28 96.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.209 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 59.7 t -63.89 -40.59 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.213 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.0 p -81.87 -20.01 39.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.218 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 . . . . . 0 C--O 1.2 -1.504 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.12 176.647 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.749 0.309 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.424 HG22 ' H ' ' A' ' 4' ' ' LYS . 87.6 m -57.64 124.58 19.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.292 177.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 33.3 p90 -64.6 -24.01 67.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.26 -171.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.424 ' H ' HG22 ' A' ' 2' ' ' THR . 98.9 mttt -70.67 -22.67 62.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.167 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 89.2 mt -103.71 -29.26 11.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.2 -174.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 48.4 mm -83.45 127.41 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.155 -176.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.9 tp -82.99 -56.76 3.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.207 -178.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -96.97 148.81 22.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.148 -170.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 59.7 tp -58.51 -46.9 85.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.184 176.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -52.65 -42.56 64.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.219 179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -60.08 -41.25 92.03 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.243 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.17 -54.43 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.187 -179.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -66.86 -23.72 66.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.214 -172.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -52.69 -49.68 64.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.282 179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -82.27 -34.08 28.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.283 -177.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -63.75 -37.35 87.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 85.4 mt -64.99 -40.26 88.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.241 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -60.64 -35.91 77.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.246 175.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -73.36 -33.4 65.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 29' ' ' TYR . 77.5 mt -65.85 -35.64 81.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.201 175.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 59.0 t -67.27 -47.39 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.178 175.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.74 -39.76 95.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.202 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.99 -33.55 70.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.143 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.01 36.94 10.49 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 111.202 -0.759 . . . . 0.0 111.202 -179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 56.0 mt -97.77 81.83 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.855 0.359 . . . . 0.0 111.163 -176.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -43.75 98.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.172 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -54.01 -55.94 22.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.235 -176.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -78.75 -16.66 56.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.105 -176.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.456 ' HA ' HD13 ' A' ' 20' ' ' LEU . 83.0 t80 -64.8 -40.97 96.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.18 175.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -95.53 -32.42 12.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.202 -176.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -99.13 -60.6 1.5 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.156 -169.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 53.1 tp -68.41 -57.68 5.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.233 -166.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.7 tp -64.57 -24.64 36.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 -175.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.77 -25.43 62.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.157 175.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -95.28 7.53 45.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.202 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -56.78 134.97 55.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.256 177.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -112.36 -24.97 9.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.2 -174.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.1 t -160.07 176.93 11.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.147 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.0 m -75.15 -25.99 18.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.144 -171.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -69.14 -39.65 78.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.187 176.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.27 -42.86 97.66 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.223 -0.751 . . . . 0.0 111.223 176.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 68.3 t -63.58 -40.67 89.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.795 0.331 . . . . 0.0 111.244 177.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -60.55 -39.95 89.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.225 175.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.1 m -62.24 -40.1 95.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.245 174.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.4 m-30 -60.99 -37.19 81.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.164 177.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -58.07 -43.67 87.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.238 174.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.77 -34.82 76.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.192 176.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -70.99 -30.57 66.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.254 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.54 -40.45 88.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.186 173.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -62.0 -43.26 99.22 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.197 172.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 94.1 m -59.47 -41.88 90.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.274 176.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.414 ' O ' ' N ' ' A' ' 56' ' ' GLU . 75.4 t80 -55.21 -49.84 70.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 176.64 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 94.0 m -58.96 -40.76 85.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.209 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.7 t -65.71 -40.66 88.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.154 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.431 ' O ' ' O ' ' A' ' 56' ' ' GLU . 81.0 p -93.41 -7.4 44.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 -175.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.431 ' O ' ' O ' ' A' ' 55' ' ' THR . 88.8 tt0 . . . . . 0 C--O 1.199 -1.572 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.185 -179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 64.0 p . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.842 0.353 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 95.6 m -53.87 -48.13 70.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.205 -176.174 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.441 ' CZ ' ' HB3' ' A' ' 15' ' ' GLU . 18.4 m-30 -89.96 -21.13 22.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.209 -177.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -72.23 -16.43 61.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.191 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.4 mt -92.46 -4.96 52.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.186 176.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 82.7 mt -91.95 111.71 24.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.178 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.7 mt -79.86 -23.71 41.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.19 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -74.96 118.87 18.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.211 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 58.7 tp -60.78 -53.21 60.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 -177.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -56.41 -42.92 78.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.209 -175.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.7 tp60 -63.56 -55.02 27.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.173 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.82 -31.42 72.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.211 -178.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -64.97 -59.99 3.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.83 -34.81 78.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.22 -176.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 55.3 mm-40 -58.8 -52.71 64.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.239 174.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.53 -35.73 78.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.26 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 88.1 mt -62.06 -46.06 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.193 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -63.97 -32.92 74.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.224 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -67.88 -36.8 80.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.245 179.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 77.2 mt -72.37 -29.74 64.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.185 176.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.2 t -65.25 -44.38 95.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.236 172.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -68.13 -35.28 77.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.122 175.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.64 -29.98 66.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.265 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 86.79 32.75 14.2 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.405 HG22 ' H ' ' A' ' 28' ' ' LYS . 36.4 mm -106.3 98.08 6.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.771 0.32 . . . . 0.0 111.191 -176.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.89 -40.75 62.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.18 -174.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -56.13 -49.86 72.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.168 -177.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.405 ' H ' HG22 ' A' ' 25' ' ' ILE . 74.3 mmtt -82.63 -27.12 31.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.177 -175.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -48.45 -40.43 26.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.178 175.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -100.99 -68.11 0.83 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.208 176.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -55.08 -52.08 64.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.228 -166.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 49.1 tp -59.82 -60.5 3.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.196 -170.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 93.0 mt -76.25 -29.74 19.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.194 -169.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.96 -24.48 67.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 178.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -90.89 2.13 56.43 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.206 -178.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.95 134.56 54.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.218 178.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -110.5 -25.15 10.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.184 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.3 p -133.55 167.57 20.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.257 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 p -72.69 -21.97 19.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.199 172.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -68.68 -35.49 77.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 174.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -59.03 -44.12 96.48 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 169.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.7 t -63.72 -38.27 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.769 0.318 . . . . 0.0 111.177 177.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 48.5 m0 -56.64 -41.02 76.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.9 m -66.38 -40.02 89.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.227 174.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 15.5 m-30 -63.71 -29.39 70.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.196 -178.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -51.95 -47.91 64.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.138 173.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -70.09 -31.84 69.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.286 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.1 mm-40 -64.95 -35.8 82.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 93.9 mt -64.89 -44.9 96.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.19 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -53.59 -40.04 65.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.233 177.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 83.6 m -58.12 -41.42 83.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.164 177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 57.5 m-85 -77.2 -28.2 53.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -178.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.3 m -65.01 -40.73 95.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.259 173.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.9 t -68.59 -41.21 82.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.201 175.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 90.0 m -58.36 -45.01 89.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.201 177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 . . . . . 0 C--O 1.2 -1.549 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.113 179.198 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.702 0.287 . . . . 0.0 111.223 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 72.1 p -105.34 4.56 31.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.209 178.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -114.48 165.67 12.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.199 -176.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.9 -29.95 70.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.24 173.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.2 tp -89.59 125.89 35.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.319 176.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.08 124.92 18.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.217 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.4 mt -80.42 -21.6 42.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.17 -173.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.3 t-20 -84.69 111.42 19.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 174.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 54.4 tp -52.78 -37.3 59.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.191 -175.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.13 -59.18 5.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.245 -178.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -65.06 -30.32 71.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.161 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.86 -42.67 97.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 178.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' HE2' ' HB3' ' A' ' 36' ' ' ALA . 97.6 mttt -67.36 -40.19 85.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.168 176.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -60.5 -46.42 90.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.235 -177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -74.52 -35.06 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.267 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -65.27 -35.26 80.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.195 176.508 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.9 mt -61.59 -44.14 98.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.204 173.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -59.84 -39.78 86.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.216 178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.93 -40.53 72.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.195 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.12 -43.77 90.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.26 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.3 -46.58 96.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.107 177.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -62.63 -33.17 74.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.18 178.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.56 -27.18 66.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.162 176.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 96.62 21.53 21.36 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -177.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.426 HG22 ' H ' ' A' ' 28' ' ' LYS . 68.7 mt -97.58 85.53 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 111.19 -175.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.4 -31.86 73.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 -171.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -70.36 -49.63 47.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.163 -171.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.426 ' H ' HG22 ' A' ' 25' ' ' ILE . 99.4 mttt -82.05 -32.35 30.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.22 -162.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.439 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 0.6 OUTLIER -66.65 -23.07 66.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.222 -175.189 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -96.53 -46.1 6.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -178.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -97.35 -61.41 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.171 -173.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 61.6 tp -61.68 -60.13 4.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.246 -166.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.7 tp -63.91 -29.75 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.16 -173.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.68 -25.55 63.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 -179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -102.2 8.32 40.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.274 -174.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.44 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . . . -65.23 142.62 58.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.187 176.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -103.54 -12.33 17.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.191 -171.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.3 t -159.06 162.5 36.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.267 -178.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.2 m -71.82 -19.95 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.216 -175.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -65.24 -41.24 94.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.218 178.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.58 -34.36 78.63 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 176.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 76.5 t -60.45 -46.92 94.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.784 0.325 . . . . 0.0 111.215 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 51.9 t-105 -64.39 -35.83 82.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.171 179.129 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 83.1 m -61.47 -40.7 95.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.241 174.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.7 m-30 -66.0 -31.84 72.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.257 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -63.76 -39.94 95.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.161 172.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -63.94 -34.9 79.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.162 174.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.55 -33.83 76.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.75 -43.3 96.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.229 173.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -59.89 -36.12 76.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 76.1 p -88.02 -20.88 25.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.253 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 56' ' ' GLU . 88.8 t80 -63.35 -51.53 65.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 175.234 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 78.5 p -65.42 -21.52 66.67 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.215 -176.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.0 t -75.61 -42.47 41.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.252 172.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.0 p -93.91 0.84 56.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.172 -177.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' N ' ' O ' ' A' ' 52' ' ' PHE . 88.4 tt0 . . . . . 0 C--O 1.201 -1.475 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.166 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 34.9 p . . . . . 0 CA--C 1.522 -0.097 0 CA-C-O 120.832 0.349 . . . . 0.0 111.209 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 50.7 p -76.69 -13.76 60.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.245 177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 86.9 t80 -57.48 -49.31 76.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.248 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -79.67 -23.31 42.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.259 -178.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.7 mt -76.71 -32.78 58.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.237 -177.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 76.3 mt -120.91 116.13 48.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -175.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.11 -27.77 68.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.232 -177.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 99.7 m-20 -64.79 -29.15 70.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.25 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 mp -76.18 -29.35 57.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.184 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -66.32 -40.1 89.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.211 172.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -68.23 -40.07 82.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.216 176.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.5 -44.93 81.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.281 176.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -58.7 -48.45 81.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.196 176.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.76 -36.7 72.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.201 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.99 -50.72 70.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.183 176.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.48 -29.18 69.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.143 -177.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.422 HG13 HG12 ' A' ' 33' ' ' ILE . 82.1 mt -61.85 -49.33 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.284 175.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.77 -27.99 66.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.213 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' HB3' HG21 ' A' ' 49' ' ' ILE . 74.2 mm-40 -72.62 -34.13 67.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.255 177.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.67 -34.59 77.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.178 172.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 61.7 t -63.23 -44.47 99.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.171 172.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.51 -37.03 85.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 176.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.6 -30.78 70.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.197 174.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.09 31.31 28.97 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 177.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.427 HG22 ' H ' ' A' ' 28' ' ' LYS . 38.2 mm -108.53 98.91 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.822 0.344 . . . . 0.0 111.216 -175.019 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -71.91 -43.63 65.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.267 -173.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -56.32 -49.19 75.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.243 -177.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 75.7 mmtt -75.99 -23.52 55.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.239 -177.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 67.2 t80 -55.28 -36.15 65.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.206 172.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -101.57 -24.95 14.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 -176.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -98.2 -59.77 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.318 -176.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' HB2' ' HD2' ' A' ' 28' ' ' LYS . 49.2 tp -64.55 -60.57 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.202 -168.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.422 HG12 HG13 ' A' ' 17' ' ' ILE . 5.6 tp -71.21 -21.01 21.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.159 -172.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.58 -24.76 67.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.105 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 96.1 m-20 -96.8 14.68 24.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.22 -175.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.55 119.09 9.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.227 178.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -116.67 -46.9 2.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.191 177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 43.7 p -117.24 164.54 14.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.229 178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 p -66.63 -24.16 32.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.235 174.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -73.59 -36.67 65.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.316 175.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -63.21 -40.6 99.27 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.239 -0.744 . . . . 0.0 111.239 170.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.8 t -64.58 -40.1 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.799 0.333 . . . . 0.0 111.21 175.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 33.1 m0 -62.84 -39.76 95.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.255 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.2 m -61.32 -40.26 93.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.208 172.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.3 m-30 -65.0 -36.88 85.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.185 177.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -67.97 -34.37 76.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.216 176.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -65.54 -34.64 78.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.222 174.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -71.63 -39.67 70.27 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.22 174.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.437 HG21 ' HB3' ' A' ' 19' ' ' GLU . 81.6 mt -62.01 -37.91 79.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.178 178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -50.37 -43.59 54.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.257 174.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.5 m -70.52 -38.21 74.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.211 175.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -60.34 -34.29 73.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.218 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 69.9 p -76.81 -18.01 58.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.255 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 78.6 t -82.44 -44.09 19.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.126 174.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 98.4 m -69.53 -42.2 74.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 . . . . . 0 C--O 1.2 -1.54 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.135 -178.296 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 86.0 m . . . . . 0 CA--C 1.523 -0.088 0 CA-C-O 120.786 0.327 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 96.0 m -55.42 -48.42 74.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.246 -178.553 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 22.6 p90 -69.91 -19.51 63.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 -177.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -79.4 -31.42 42.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 176.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.8 mt -90.71 -23.62 20.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 -177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 81.8 mt -112.9 113.84 45.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 97.8 mt -92.64 -14.2 28.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.177 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 -77.09 112.1 13.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.247 176.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 67.3 tp -54.47 -40.12 68.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 -176.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.19 -28.86 68.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.179 -172.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -89.69 -36.26 15.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.246 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.45 -36.92 77.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -63.36 -20.74 65.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -175.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -64.67 -24.55 67.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 54.2 tp10 -64.3 -52.09 60.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.139 178.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -68.45 -37.89 80.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.217 178.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 82.2 mt -61.33 -39.64 83.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.145 178.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -51.44 -44.68 62.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.189 174.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -76.05 -32.49 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.252 -178.164 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.45 HD13 ' HA ' ' A' ' 29' ' ' TYR . 80.8 mt -64.95 -37.63 88.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.249 176.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.9 t -76.24 -43.42 37.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.237 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -62.04 -39.73 93.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.283 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.01 -29.68 62.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.249 175.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.26 42.34 9.45 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.205 -0.758 . . . . 0.0 111.205 176.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 43.6 mm -107.96 93.5 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.718 0.294 . . . . 0.0 111.31 -178.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.74 85.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.15 -174.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -51.07 -49.53 60.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -82.45 -25.32 33.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.223 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.45 ' HA ' HD13 ' A' ' 20' ' ' LEU . 76.1 t80 -56.39 -40.13 74.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.186 174.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -94.68 -30.94 14.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -176.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -97.72 -59.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.202 -172.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.4 tp -59.94 -58.04 10.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.181 -168.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.4 tp -67.43 -21.43 27.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.2 -173.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.33 -24.54 67.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.099 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -95.86 10.49 37.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.222 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -74.69 82.71 2.07 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.248 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -68.15 -32.09 72.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.172 -177.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.4 p -129.13 169.11 15.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.277 -179.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -73.26 -20.86 18.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.187 175.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -73.43 -34.45 65.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.246 171.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.44 -41.59 99.76 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 170.27 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 64.8 t -57.94 -45.63 87.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.777 0.323 . . . . 0.0 111.248 174.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 65.2 t-105 -57.2 -46.88 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.181 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 83.1 m -59.56 -39.89 85.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 177.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.4 m-30 -72.48 -27.83 62.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.15 -176.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -63.44 -44.12 95.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.19 168.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.84 -32.06 73.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.184 176.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -65.97 -56.07 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 178.053 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.3 tp -65.1 -27.76 43.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.235 -178.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -61.25 -49.47 76.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.268 172.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.6 m -62.51 -40.12 95.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.185 175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 19.3 m-30 -59.26 -43.93 92.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 99.1 m -64.36 -39.87 94.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.237 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 57.5 t -64.25 -39.77 86.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.148 178.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.9 p -86.63 -15.16 40.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.183 -177.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 . . . . . 0 C--O 1.2 -1.544 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.226 177.754 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 80.2 p . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.729 0.3 . . . . 0.0 111.12 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 87.6 m -97.43 125.02 41.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.234 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -107.92 2.86 23.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 -172.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -85.78 166.56 15.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 177.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 53.0 tp -55.86 119.78 6.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.173 -176.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 49.6 mm -104.31 128.25 57.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.238 178.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.6 mt -87.05 159.12 19.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.184 175.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -52.18 134.7 32.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.256 175.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.6 ' O ' HD23 ' A' ' 9' ' ' LEU . 4.8 tt -43.7 -44.54 6.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.255 -172.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -56.07 -49.94 72.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.175 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 70.4 tp60 -70.7 -47.98 57.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.146 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.33 71.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.196 -178.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.2 -50.67 72.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.198 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -65.27 -34.38 78.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.467 ' HB3' ' HD2' ' A' ' 46' ' ' LYS . 75.6 mm-40 -63.62 -41.92 98.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.231 179.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -66.43 -40.88 89.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.271 175.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.448 ' HA ' HD12 ' A' ' 20' ' ' LEU . 82.5 mt -62.59 -34.8 67.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.187 -179.057 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -57.57 -38.6 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.203 174.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -81.54 -30.32 33.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.205 179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 17' ' ' ILE . 71.2 mt -65.62 -41.08 93.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.237 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.5 p -76.06 -29.45 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.234 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -72.36 -34.62 68.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.153 175.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.06 -37.19 86.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.233 176.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 85.02 10.08 79.26 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 76.9 mt -95.09 99.04 8.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.701 0.286 . . . . 0.0 111.19 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.07 -34.64 78.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.255 -172.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -53.45 -53.45 51.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.249 179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -79.29 -24.85 42.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.196 -174.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -53.24 -35.83 60.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.163 176.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -106.35 -32.3 8.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.246 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -80.06 -58.97 2.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 58.0 tp -55.21 -51.06 67.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.124 -172.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 10.5 tp -65.44 -24.63 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.234 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -86.0 -12.42 50.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.175 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -95.84 18.41 13.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.198 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.46 133.65 34.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.169 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -115.08 -22.38 9.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.196 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.9 p -131.38 164.2 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.178 177.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -64.01 -24.5 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.216 174.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -72.66 -40.58 66.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.175 175.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -62.5 -44.24 97.87 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 175.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.9 t -56.01 -48.69 78.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.754 0.311 . . . . 0.0 111.182 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -68.25 -47.27 68.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.24 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 55.0 m -61.93 -32.32 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.182 -173.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 13.8 m-30 -61.21 -25.18 66.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.232 -177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.467 ' HD2' ' HB3' ' A' ' 15' ' ' GLU . 87.7 tttt -55.1 -35.87 65.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 174.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 -94.55 -19.68 20.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.269 -177.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -66.04 -42.68 89.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.167 177.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.6 tp -65.81 -26.3 38.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.195 -179.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -63.31 -43.72 97.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.267 175.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.2 m -65.27 -40.44 93.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 173.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 16.8 m-30 -60.94 -36.54 79.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.181 179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 98.5 m -67.43 -41.47 84.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.248 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 56.9 t -64.12 -39.97 87.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.266 177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.492 ' O ' ' O ' ' A' ' 56' ' ' GLU . 81.0 p -87.56 -13.6 42.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.16 -177.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.492 ' O ' ' O ' ' A' ' 55' ' ' THR . 87.0 tt0 . . . . . 0 C--O 1.201 -1.483 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.247 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 30.8 p . . . . . 0 CA--C 1.523 -0.084 0 CA-C-O 120.9 0.381 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 92.7 m -57.44 -34.38 68.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.205 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -62.91 -24.94 68.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.172 -175.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -71.29 -24.39 62.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.186 177.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.3 mt -85.39 -6.36 59.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.244 176.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.409 HG22 ' H ' ' A' ' 8' ' ' ASN . 49.3 mm -85.44 119.73 34.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.222 178.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 95.5 mt -72.28 -18.9 61.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.276 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' H ' HG22 ' A' ' 6' ' ' ILE . 96.3 m-20 -94.75 15.66 17.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.232 178.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.9 tp -58.91 -59.76 4.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.164 177.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -76.55 -32.53 58.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.147 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 63.4 tp60 -56.58 -50.16 72.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.272 174.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -65.12 -38.96 92.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.154 178.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -56.1 -48.85 75.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 177.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -69.89 -34.95 74.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 -177.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -68.37 -34.74 76.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -64.69 -48.29 75.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.206 179.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 51.0 pt -74.7 -22.93 17.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.196 -179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -64.84 -47.74 76.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.215 172.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -72.03 -31.33 66.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.094 -179.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.2 mt -64.97 -42.01 94.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.136 177.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.82 -40.75 89.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.223 173.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -63.02 -35.07 79.0 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.159 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -84.42 -17.95 37.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.216 -179.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.77 27.57 45.93 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 178.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 41.4 mm -95.42 83.02 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.747 0.308 . . . . 0.0 111.215 -178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.03 -43.57 78.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.153 -175.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -53.13 -47.76 68.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.184 -175.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.451 ' HD2' ' HB2' ' A' ' 32' ' ' LEU . 47.3 mmtm -81.96 -29.89 31.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.157 -176.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -54.8 -44.81 74.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.254 172.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -85.26 -39.96 17.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.224 -175.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -97.55 -60.01 1.66 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 -169.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.451 ' HB2' ' HD2' ' A' ' 28' ' ' LYS . 49.1 tp -57.7 -53.36 59.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.21 -166.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 49.7 mm -72.34 -31.25 38.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.21 -174.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.16 -28.52 68.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.289 174.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 95.4 m-20 -95.02 5.95 50.47 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.169 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.8 136.71 58.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.211 177.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -102.3 -45.31 5.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.116 -175.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.3 p -128.06 168.23 15.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.193 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.7 p -69.66 -25.68 29.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.181 174.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -71.49 -34.7 70.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.14 174.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -60.37 -44.0 98.05 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.249 -0.74 . . . . 0.0 111.249 170.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.9 t -65.22 -40.38 88.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 120.832 0.349 . . . . 0.0 111.203 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 36.4 m0 -63.73 -34.36 77.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.239 177.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 80.9 m -66.94 -39.96 87.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 171.488 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.2 m-30 -65.03 -26.44 68.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.122 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.07 -18.1 63.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.195 174.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -94.76 -26.89 16.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.194 172.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -69.88 -32.19 70.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.244 178.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.419 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 15.3 tt -64.56 -20.16 26.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.164 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -66.41 -20.05 65.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.174 177.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 71.8 p -108.18 -16.94 14.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.171 177.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.419 ' CD2' ' HA ' ' A' ' 49' ' ' ILE . 19.7 m-30 -65.87 -34.49 78.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.247 175.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 72.2 p -72.75 -20.62 61.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.203 176.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.9 t -77.59 -41.01 28.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.262 173.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.483 ' O ' ' O ' ' A' ' 56' ' ' GLU . 81.0 p -82.15 -15.4 53.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.232 179.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.483 ' O ' ' O ' ' A' ' 55' ' ' THR . 86.8 tt0 . . . . . 0 C--O 1.2 -1.52 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 176.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 68.6 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.83 0.347 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 75.6 p -89.75 -12.67 38.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.153 177.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -77.81 -29.67 50.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -110.02 89.97 3.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.239 176.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 92.8 mt -80.18 142.52 34.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.234 -177.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 94.7 mt -99.4 125.87 52.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.172 -176.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 98.9 mt -69.71 -32.07 70.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 -177.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 -70.91 120.72 16.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.078 177.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 66.0 tp -58.63 -49.1 78.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.15 -176.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -60.11 -52.68 64.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.151 -176.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -65.25 -35.17 80.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.186 -178.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.91 -42.11 95.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.245 176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.1 mtpt -63.1 -39.85 95.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.183 177.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.23 -43.22 92.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.227 -178.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -73.64 -32.74 64.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.199 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.15 -43.75 98.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.141 175.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 34.1 pt -86.79 -11.21 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.249 -178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -62.91 -38.48 91.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.229 169.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -62.91 -34.74 78.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.188 172.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 87.2 mt -68.94 -32.1 71.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.137 176.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 60.8 t -63.97 -43.38 97.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.179 173.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -66.2 -35.35 80.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.238 174.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.56 -29.12 64.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.45 27.7 38.56 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.5 mt -101.92 115.74 44.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.83 0.347 . . . . 0.0 111.193 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -91.35 -14.21 31.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.228 -176.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -75.93 -46.78 28.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -173.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -79.32 -34.87 41.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -163.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.409 ' CD1' ' C ' ' A' ' 29' ' ' TYR . 1.2 p90 -66.96 -17.68 65.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.191 -179.277 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -97.56 -43.38 7.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.257 176.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -95.03 -59.89 1.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.226 -173.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 65.9 tp -56.4 -58.6 7.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.265 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.4 tp -63.87 -26.44 40.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.193 -174.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.15 -26.32 61.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.208 177.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -75.14 -14.11 60.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.98 136.44 56.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 177.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -114.15 -20.45 10.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.265 177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 45.6 p -133.34 164.92 26.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.169 177.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -66.37 -23.74 32.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 174.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -73.74 -36.35 65.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.194 175.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -64.1 -38.14 95.57 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 172.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.53 -42.37 94.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.778 0.323 . . . . 0.0 111.159 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 53.6 m0 -59.55 -45.4 91.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.219 176.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 85.9 m -62.92 -42.12 99.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.226 179.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 16.4 m-30 -61.43 -44.87 96.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.107 178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -60.37 -36.89 79.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.075 -178.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -57.67 -45.31 85.73 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.217 175.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -71.9 -34.42 69.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.233 177.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.402 ' HA ' ' CD2' ' A' ' 52' ' ' PHE . 90.4 mt -65.29 -37.56 80.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.207 179.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -52.69 -47.55 67.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.203 172.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.9 m -57.76 -41.14 81.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.202 174.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.402 ' CD2' ' HA ' ' A' ' 49' ' ' ILE . 12.9 m-30 -59.38 -43.02 92.96 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.256 177.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.8 m -59.57 -42.86 93.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 176.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.14 -41.24 91.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.227 -179.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.8 p -77.76 -20.44 53.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.19 -176.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 . . . . . 0 C--O 1.201 -1.48 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.207 176.777 . . . . . . . . 0 0 . 1 stop_ save_